(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol

C131H186F11N45O9 — CID 159794856

IUPAC(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC[C@@H](Nc1nc(N)nc2cccnc12)C(CF)CC(C)=O.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(O)C(F)F.CCCC[C@@](C)(Nc1nc(N)nc2cc(F)cnc12)C(C)O.CCCC[C@@](C)(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@H](CCO)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@](C)(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@](CO)(Nc1nc(N)nc2cccnc12)C(F)(F)F.Nc1nc(N[C@@H](CO)CCCC(F)(F)F)c2ncccc2n1
InChIInChI=1S/C17H24FN5O.C15H22FN5O.2C15H23N5O.C14H18F3N5O.C14H19F2N5O.C14H20FN5O.C14H21N5O.C13H16F3N5O/c1-3-4-6-13(12(10-18)9-11(2)24)21-16-15-14(7-5-8-20-15)22-17(19)23-16;1-4-5-6-15(3,9(2)22)21-13-12-11(19-14(17)20-13)7-10(16)8-18-12;2*1-4-5-8-15(3,10(2)21)20-13-12-11(7-6-9-17-12)18-14(16)19-13;1-2-3-6-13(8-23,14(15,16)17)22-11-10-9(5-4-7-19-10)20-12(18)21-11;1-2-3-5-9(11(22)12(15)16)19-13-10-8(6-4-7-18-10)20-14(17)21-13;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-2-3-5-10(7-9-20)17-13-12-11(6-4-8-16-12)18-14(15)19-13;14-13(15,16)5-1-3-8(7-22)19-11-10-9(4-2-6-18-10)20-12(17)21-11/h5,7-8,12-13H,3-4,6,9-10H2,1-2H3,(H3,19,21,22,23);7-9,22H,4-6H2,1-3H3,(H3,17,19,20,21);2*6-7,9-10,21H,4-5,8H2,1-3H3,(H3,16,18,19,20);4-5,7,23H,2-3,6,8H2,1H3,(H3,18,20,21,22);4,6-7,9,11-12,22H,2-3,5H2,1H3,(H3,17,19,20,21);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);4,6,8,10,20H,2-3,5,7,9H2,1H3,(H3,15,17,18,19);2,4,6,8,22H,1,3,5,7H2,(H3,17,19,20,21)/t12?,13-;9?,15-;2*10?,15-;13-;9-,11?;14-;10-;8-/m111011111/s1
InChIKeyNJANQVBBVYURTP-RTLRWHMCSA-N
MW2744.21 g/mol
LogP21.21
Rot. Bonds59

About (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol

(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol (PubChem CID 159794856) has the molecular formula C131H186F11N45O9 and a molecular weight of 2744.21 g/mol. Its IUPAC name is (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol
PubChem CID159794856
Molecular FormulaC131H186F11N45O9
Molecular Weight2744.21 g/mol
Exact Mass2742.53
IUPAC Name(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol
SMILESCCCC[C@@H](Nc1nc(N)nc2cccnc12)C(CF)CC(C)=O.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(O)C(F)F.CCCC[C@@](C)(Nc1nc(N)nc2cc(F)cnc12)C(C)O.CCCC[C@@](C)(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@H](CCO)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@](C)(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@](CO)(Nc1nc(N)nc2cccnc12)C(F)(F)F.Nc1nc(N[C@@H](CO)CCCC(F)(F)F)c2ncccc2n1
InChIInChI=1S/C17H24FN5O.C15H22FN5O.2C15H23N5O.C14H18F3N5O.C14H19F2N5O.C14H20FN5O.C14H21N5O.C13H16F3N5O/c1-3-4-6-13(12(10-18)9-11(2)24)21-16-15-14(7-5-8-20-15)22-17(19)23-16;1-4-5-6-15(3,9(2)22)21-13-12-11(19-14(17)20-13)7-10(16)8-18-12;2*1-4-5-8-15(3,10(2)21)20-13-12-11(7-6-9-17-12)18-14(16)19-13;1-2-3-6-13(8-23,14(15,16)17)22-11-10-9(5-4-7-19-10)20-12(18)21-11;1-2-3-5-9(11(22)12(15)16)19-13-10-8(6-4-7-18-10)20-14(17)21-13;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-2-3-5-10(7-9-20)17-13-12-11(6-4-8-16-12)18-14(15)19-13;14-13(15,16)5-1-3-8(7-22)19-11-10-9(4-2-6-18-10)20-12(17)21-11/h5,7-8,12-13H,3-4,6,9-10H2,1-2H3,(H3,19,21,22,23);7-9,22H,4-6H2,1-3H3,(H3,17,19,20,21);2*6-7,9-10,21H,4-5,8H2,1-3H3,(H3,16,18,19,20);4-5,7,23H,2-3,6,8H2,1H3,(H3,18,20,21,22);4,6-7,9,11-12,22H,2-3,5H2,1H3,(H3,17,19,20,21);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);4,6,8,10,20H,2-3,5,7,9H2,1H3,(H3,15,17,18,19);2,4,6,8,22H,1,3,5,7H2,(H3,17,19,20,21)/t12?,13-;9?,15-;2*10?,15-;13-;9-,11?;14-;10-;8-/m111011111/s1
InChIKeyNJANQVBBVYURTP-RTLRWHMCSA-N
XLogP21.21
TPSA869.39 Ų
H-Bond Donors26
H-Bond Acceptors54
Rotatable Bonds59
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002744.21
LogP ≤ 521.21
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1054

Analyze (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R,4R)-4-[[5-cyclobutyl-2-[2-[(3,4,6-trifluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388152
4-[[5-Cyclobutyl-2-[2-[(3,4,6-trifluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388160
(3R,4R)-4-[[5-cyclobutyl-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388171
4-[[5-Cyclobutyl-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388177
(3S,4R)-4-[[5-cyclobutyl-2-[2-[(3-fluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388195
(3S,4R)-4-[[5-cyclopropyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388222
4-[[5-Cyclopropyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388225
(3S,4R)-4-[[5-cyclobutyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388240
(3R,4R)-4-[[5-cyclobutyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388246
4-[[5-Cyclobutyl-2-[2-[(3,5-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388247
(3S,4R)-4-[[5-cyclobutyl-2-[2-[(3,6-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388381
4-[[5-Cyclobutyl-2-[2-[(3,6-difluoro-2-pyridinyl)amino]-4-pyridinyl]pyrido[3,4-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 118388388

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol?
The IUPAC name of (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol (CID 159794856) is (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol is CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(CF)CC(C)=O.CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(O)C(F)F.CCCC[C@@](C)(Nc1nc(N)nc2cc(F)cnc12)C(C)O.CCCC[C@@](C)(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@H](CCO)Nc1nc(N)nc2cccnc12.CCCC[C@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@](C)(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@](CO)(Nc1nc(N)nc2cccnc12)C(F)(F)F.Nc1nc(N[C@@H](CO)CCCC(F)(F)F)c2ncccc2n1.
What is the InChIKey of (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol?
The InChIKey is NJANQVBBVYURTP-RTLRWHMCSA-N. The full InChI is InChI=1S/C17H24FN5O.C15H22FN5O.2C15H23N5O.C14H18F3N5O.C14H19F2N5O.C14H20FN5O.C14H21N5O.C13H16F3N5O/c1-3-4-6-13(12(10-18)9-11(2)24)21-16-15-14(7-5-8-20-15)22-17(19)23-16;1-4-5-6-15(3,9(2)22)21-13-12-11(19-14(17)20-13)7-10(16)8-18-12;2*1-4-5-8-15(3,10(2)21)20-13-12-11(7-6-9-17-12)18-14(16)19-13;1-2-3-6-13(8-23,14(15,16)17)22-11-10-9(5-4-7-19-10)20-12(18)21-11;1-2-3-5-9(11(22)12(15)16)19-13-10-8(6-4-7-18-10)20-14(17)21-13;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-2-3-5-10(7-9-20)17-13-12-11(6-4-8-16-12)18-14(15)19-13;14-13(15,16)5-1-3-8(7-22)19-11-10-9(4-2-6-18-10)20-12(17)21-11/h5,7-8,12-13H,3-4,6,9-10H2,1-2H3,(H3,19,21,22,23);7-9,22H,4-6H2,1-3H3,(H3,17,19,20,21);2*6-7,9-10,21H,4-5,8H2,1-3H3,(H3,16,18,19,20);4-5,7,23H,2-3,6,8H2,1H3,(H3,18,20,21,22);4,6-7,9,11-12,22H,2-3,5H2,1H3,(H3,17,19,20,21);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);4,6,8,10,20H,2-3,5,7,9H2,1H3,(H3,15,17,18,19);2,4,6,8,22H,1,3,5,7H2,(H3,17,19,20,21)/t12?,13-;9?,15-;2*10?,15-;13-;9-,11?;14-;10-;8-/m111011111/s1.
What are the key properties of (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol?
(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol has a molecular weight of 2744.21 g/mol, XLogP of 21.21, 59 rotatable bonds, 26 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1,1-difluoroheptan-2-ol;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(3R)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(3S)-3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6,6,6-trifluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 159794856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).