6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one

C13H16N8O — CID 142317527

IUPAC6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one
SMILESCC(C)n1cnc2c(Nc3cc(N)[nH]c(=O)c3)nc(N)nc21
InChIInChI=1S/C13H16N8O/c1-6(2)21-5-16-10-11(19-13(15)20-12(10)21)17-7-3-8(14)18-9(22)4-7/h3-6H,1-2H3,(H6,14,15,17,18,19,20,22)
InChIKeyHYDLTBWPPRBACU-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.00
Rot. Bonds3

About 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one

6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one (PubChem CID 142317527) has the molecular formula C13H16N8O and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one
PubChem CID142317527
Molecular FormulaC13H16N8O
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC Name6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one
SMILESCC(C)n1cnc2c(Nc3cc(N)[nH]c(=O)c3)nc(N)nc21
InChIInChI=1S/C13H16N8O/c1-6(2)21-5-16-10-11(19-13(15)20-12(10)21)17-7-3-8(14)18-9(22)4-7/h3-6H,1-2H3,(H6,14,15,17,18,19,20,22)
InChIKeyHYDLTBWPPRBACU-UHFFFAOYSA-N
XLogP1.00
TPSA140.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-N-(3-chlorophenyl)-9-propan-2-ylpurine-2,6-diamine
CID 141182611
6-amino-4-[[2-[[(1S,2R)-2-(2-hydroxyethyl)cyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]-1H-pyridin-2-one
CID 134397347
2-chloro-N-(3,5-dibromophenyl)-9-propan-2-ylpurin-6-amine
CID 176909183
9-propan-2-yl-2-N,6-N-bis(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117082482
(2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 6604931
2-iodo-N-phenyl-9-propan-2-ylpurin-6-amine
CID 11794083
6-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-N-hydroxyhexanamide
CID 127027440
2-chloro-N-(4-fluoro-3,5-dimethoxyphenyl)-9-propan-2-ylpurin-6-amine
CID 176909294
5-chloro-3-N-[2-[[(3S)-piperidin-3-yl]methyl]-9-propan-2-ylpurin-6-yl]benzene-1,3-diamine
CID 158749481
N'-(2-amino-9-propan-2-ylpurin-6-yl)-N'-methylmethanesulfonohydrazide
CID 145188830
N-(4-bromo-2-chlorophenyl)-2-chloro-9-propan-2-ylpurin-6-amine
CID 22309638
N-(3-bromophenyl)-2-iodo-9-propan-2-ylpurin-6-amine
CID 10647526

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one?
The IUPAC name of 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one (CID 142317527) is 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one?
The canonical SMILES for 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one is CC(C)n1cnc2c(Nc3cc(N)[nH]c(=O)c3)nc(N)nc21.
What is the InChIKey of 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one?
The InChIKey is HYDLTBWPPRBACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8O/c1-6(2)21-5-16-10-11(19-13(15)20-12(10)21)17-7-3-8(14)18-9(22)4-7/h3-6H,1-2H3,(H6,14,15,17,18,19,20,22).
What are the key properties of 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one?
6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one has a molecular weight of 300.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(2-amino-9-propan-2-ylpurin-6-yl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 142317527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).