(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol

C88H129F3N30O8 — CID 158036306

IUPAC(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
SMILESCCCCC(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@@H](Nc1nc(N)nc2cc(F)cnc12)C(O)CF.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(OC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)cnc12
InChIInChI=1S/C17H24FN5O.C15H23N5O2.C14H19F2N5O.C14H21N5O2.2C14H21N5O/c1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-5-6-10(9-21)18-14-13-12(19-15(16)20-14)7-11(8-17-13)22-4-2;1-2-3-4-9(11(22)6-15)19-13-12-10(20-14(17)21-13)5-8(16)7-18-12;1-3-4-5-9(8-20)17-13-12-11(18-14(15)19-13)6-10(21-2)7-16-12;1-3-4-6-10(9(2)20)17-13-12-11(7-5-8-16-12)18-14(15)19-13;1-3-4-5-10(8-20)17-13-12-11(18-14(15)19-13)6-9(2)7-16-12/h9-10H,4-8H2,1-3H3,(H3,19,21,22,23);7-8,10,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);5,7,9,11,22H,2-4,6H2,1H3,(H3,17,19,20,21);6-7,9,20H,3-5,8H2,1-2H3,(H3,15,17,18,19);5,7-10,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);6-7,10,20H,3-5,8H2,1-2H3,(H3,15,17,18,19)/t17-;10-;9-,11?;9-;;10-/m0111.1/s1
InChIKeyFHUCJCFQCGRZGD-HWAXXIPSSA-N
MW1792.20 g/mol
LogP12.91
Rot. Bonds42

About (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol

(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol (PubChem CID 158036306) has the molecular formula C88H129F3N30O8 and a molecular weight of 1792.20 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
PubChem CID158036306
Molecular FormulaC88H129F3N30O8
Molecular Weight1792.20 g/mol
Exact Mass1791.06
IUPAC Name(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
SMILESCCCCC(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@@H](Nc1nc(N)nc2cc(F)cnc12)C(O)CF.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(OC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)cnc12
InChIInChI=1S/C17H24FN5O.C15H23N5O2.C14H19F2N5O.C14H21N5O2.2C14H21N5O/c1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-5-6-10(9-21)18-14-13-12(19-15(16)20-14)7-11(8-17-13)22-4-2;1-2-3-4-9(11(22)6-15)19-13-12-10(20-14(17)21-13)5-8(16)7-18-12;1-3-4-5-9(8-20)17-13-12-11(18-14(15)19-13)6-10(21-2)7-16-12;1-3-4-6-10(9(2)20)17-13-12-11(7-5-8-16-12)18-14(15)19-13;1-3-4-5-10(8-20)17-13-12-11(18-14(15)19-13)6-9(2)7-16-12/h9-10H,4-8H2,1-3H3,(H3,19,21,22,23);7-8,10,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);5,7,9,11,22H,2-4,6H2,1H3,(H3,17,19,20,21);6-7,9,20H,3-5,8H2,1-2H3,(H3,15,17,18,19);5,7-10,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);6-7,10,20H,3-5,8H2,1-2H3,(H3,15,17,18,19)/t17-;10-;9-,11?;9-;;10-/m0111.1/s1
InChIKeyFHUCJCFQCGRZGD-HWAXXIPSSA-N
XLogP12.91
TPSA597.00 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001792.20
LogP ≤ 512.91
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Analyze (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[[[(3R,6S)-6-[(1R)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129265
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25129266
6-[[[(3R,6S)-6-[1-amino-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67366123
6-[[[(3R,6S)-6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137650834
(2S)-4-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(pyrido[3,2-d]pyrimidin-4-ylamino)butanoic acid
CID 139467259
(2S)-2-[(7-fluoro-2-methylquinazolin-4-yl)amino]-4-[2-[(2-methyl-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 151287668
(2S)-4-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(quinazolin-4-ylamino)butanoic acid
CID 151597171
(2S)-2-[(7-fluoro-2-methylquinazolin-4-yl)amino]-4-[2-[(5-fluoro-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 152082525
(2S)-2-[(7-fluoro-2-methylquinazolin-4-yl)amino]-4-[2-[(6-methyl-3-pyridinyl)oxy]ethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]butanoic acid
CID 152574476
US20230399327, Example 98
CID 170444725
7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 122186035

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
The IUPAC name of (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol (CID 158036306) is (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol.
What is the SMILES notation for (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
The canonical SMILES for (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol is CCCCC(Nc1nc(N)nc2cccnc12)C(C)O.CCCC[C@@H](Nc1nc(N)nc2cc(F)cnc12)C(O)CF.CCCC[C@@](C)(CCC(C)=O)Nc1nc(N)nc2cc(F)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(C)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(OC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(OCC)cnc12.
What is the InChIKey of (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
The InChIKey is FHUCJCFQCGRZGD-HWAXXIPSSA-N. The full InChI is InChI=1S/C17H24FN5O.C15H23N5O2.C14H19F2N5O.C14H21N5O2.2C14H21N5O/c1-4-5-7-17(3,8-6-11(2)24)23-15-14-13(21-16(19)22-15)9-12(18)10-20-14;1-3-5-6-10(9-21)18-14-13-12(19-15(16)20-14)7-11(8-17-13)22-4-2;1-2-3-4-9(11(22)6-15)19-13-12-10(20-14(17)21-13)5-8(16)7-18-12;1-3-4-5-9(8-20)17-13-12-11(18-14(15)19-13)6-10(21-2)7-16-12;1-3-4-6-10(9(2)20)17-13-12-11(7-5-8-16-12)18-14(15)19-13;1-3-4-5-10(8-20)17-13-12-11(18-14(15)19-13)6-9(2)7-16-12/h9-10H,4-8H2,1-3H3,(H3,19,21,22,23);7-8,10,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);5,7,9,11,22H,2-4,6H2,1H3,(H3,17,19,20,21);6-7,9,20H,3-5,8H2,1-2H3,(H3,15,17,18,19);5,7-10,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);6-7,10,20H,3-5,8H2,1-2H3,(H3,15,17,18,19)/t17-;10-;9-,11?;9-;;10-/m0111.1/s1.
What are the key properties of (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol?
(2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol has a molecular weight of 1792.20 g/mol, XLogP of 12.91, 42 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-7-ethoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(3R)-3-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-1-fluoroheptan-2-ol;(5S)-5-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylnonan-2-one;(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(2R)-2-[(2-amino-7-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol is sourced from PubChem (CID 158036306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).