(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one

C16H23N5O2 — CID 158309204

IUPAC(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one
SMILESCCCC[C@@H](Nc1nc(N)nc2cccnc12)C(=O)CCCO
InChIInChI=1S/C16H23N5O2/c1-2-3-6-11(13(23)8-5-10-22)19-15-14-12(7-4-9-18-14)20-16(17)21-15/h4,7,9,11,22H,2-3,5-6,8,10H2,1H3,(H3,17,19,20,21)/t11-/m1/s1
InChIKeyJNMJOYWKOBBWMZ-LLVKDONJSA-N
MW317.39 g/mol
LogP1.92
Rot. Bonds9

About (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one

(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one (PubChem CID 158309204) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one.

Molecular Properties

Compound Name(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one
PubChem CID158309204
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one
SMILESCCCC[C@@H](Nc1nc(N)nc2cccnc12)C(=O)CCCO
InChIInChI=1S/C16H23N5O2/c1-2-3-6-11(13(23)8-5-10-22)19-15-14-12(7-4-9-18-14)20-16(17)21-15/h4,7,9,11,22H,2-3,5-6,8,10H2,1H3,(H3,17,19,20,21)/t11-/m1/s1
InChIKeyJNMJOYWKOBBWMZ-LLVKDONJSA-N
XLogP1.92
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one with MolForge

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Related Compounds

N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexyl]acetamide
CID 122585199
3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-2-ol
CID 122585253
(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 122584989
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol
CID 122585192
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
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptyl]acetamide
CID 122585361
methyl 2-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]hexanoate
CID 122585007
(2S)-2-[(2-amino-7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-7-isocyanopyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]ethanol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutan-1-ol;3-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]propan-1-ol;4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine;methyl (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanoate
CID 161088487
(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
(2R,3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol
CID 122585001
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylpentyl]acetamide
CID 134319396

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one?
The IUPAC name of (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one (CID 158309204) is (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one.
What is the SMILES notation for (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one?
The canonical SMILES for (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one is CCCC[C@@H](Nc1nc(N)nc2cccnc12)C(=O)CCCO.
What is the InChIKey of (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one?
The InChIKey is JNMJOYWKOBBWMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-2-3-6-11(13(23)8-5-10-22)19-15-14-12(7-4-9-18-14)20-16(17)21-15/h4,7,9,11,22H,2-3,5-6,8,10H2,1H3,(H3,17,19,20,21)/t11-/m1/s1.
What are the key properties of (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one?
(5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one has a molecular weight of 317.39 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-1-hydroxynonan-4-one is sourced from PubChem (CID 158309204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).