(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol

C76H112FN25O5 — CID 159451509

IUPAC(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H27N5O.C17H25N5O.C14H20FN5O.C14H21N5O.C13H19N5O/c1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12;1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19);4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t18-;17-;2*14-;13-/m00001/s1
InChIKeyLTLBIFTWTWTEFZ-JLRRYRFSSA-N
MW1474.90 g/mol
LogP12.61
Rot. Bonds33

About (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol

(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 159451509) has the molecular formula C76H112FN25O5 and a molecular weight of 1474.90 g/mol. Its IUPAC name is (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID159451509
Molecular FormulaC76H112FN25O5
Molecular Weight1474.90 g/mol
Exact Mass1473.93
IUPAC Name(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H27N5O.C17H25N5O.C14H20FN5O.C14H21N5O.C13H19N5O/c1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12;1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19);4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t18-;17-;2*14-;13-/m00001/s1
InChIKeyLTLBIFTWTWTEFZ-JLRRYRFSSA-N
XLogP12.61
TPSA478.43 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001474.90
LogP ≤ 512.61
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 159990858
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one
CID 160852198
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;7-fluoro-4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3R)-3-methylheptan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 160992644
2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 122585081
(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5S)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-(fluoromethyl)nonan-2-one;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
CID 158508404
(5R)-5-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one;4-N-[(2R,5R)-1,1,1-trifluoro-2,5-dimethylnonan-5-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 161453106
N-[(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 122599112
4-N-(3-methylheptan-3-yl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598680
(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
CID 157159263
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 159451509) is (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol is CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2c(C)ccnc12.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cccnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@@](C)(CO)Nc1nc(N)nc2cccnc12.CCC[C@](C)(CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is LTLBIFTWTWTEFZ-JLRRYRFSSA-N. The full InChI is InChI=1S/C18H27N5O.C17H25N5O.C14H20FN5O.C14H21N5O.C13H19N5O/c1-5-6-9-18(4,10-7-13(3)24)23-16-15-14(21-17(19)22-16)12(2)8-11-20-15;1-4-5-9-17(3,10-8-12(2)23)22-15-14-13(7-6-11-19-14)20-16(18)21-15;1-3-4-5-14(2,8-21)20-12-11-10(18-13(16)19-12)6-9(15)7-17-11;1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12;1-3-6-13(2,8-19)18-11-10-9(5-4-7-15-10)16-12(14)17-11/h8,11H,5-7,9-10H2,1-4H3,(H3,19,21,22,23);6-7,11H,4-5,8-10H2,1-3H3,(H3,18,20,21,22);6-7,21H,3-5,8H2,1-2H3,(H3,16,18,19,20);5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19);4-5,7,19H,3,6,8H2,1-2H3,(H3,14,16,17,18)/t18-;17-;2*14-;13-/m00001/s1.
What are the key properties of (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol?
(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 1474.90 g/mol, XLogP of 12.61, 33 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-amino-8-methylpyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 159451509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).