3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one

C16H20N6O — CID 170070893

IUPAC3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one
SMILESCc1nc(CC(C)C)c2[nH]c(Cn3cccc(N)c3=O)nc2n1
InChIInChI=1S/C16H20N6O/c1-9(2)7-12-14-15(19-10(3)18-12)21-13(20-14)8-22-6-4-5-11(17)16(22)23/h4-6,9H,7-8,17H2,1-3H3,(H,18,19,20,21)
InChIKeyRCCNZBANSPSTSF-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.65
Rot. Bonds4

About 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one

3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one (PubChem CID 170070893) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one
PubChem CID170070893
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one
SMILESCc1nc(CC(C)C)c2[nH]c(Cn3cccc(N)c3=O)nc2n1
InChIInChI=1S/C16H20N6O/c1-9(2)7-12-14-15(19-10(3)18-12)21-13(20-14)8-22-6-4-5-11(17)16(22)23/h4-6,9H,7-8,17H2,1-3H3,(H,18,19,20,21)
InChIKeyRCCNZBANSPSTSF-UHFFFAOYSA-N
XLogP1.65
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

[(E,2S)-7-(dimethylamino)-1-[[1-[[6-(2-methylpropyl)-7H-purin-8-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid
CID 146349012
3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 55035658
[7-(dimethylamino)-1-[[1-[[6-(2-methylpropyl)-7H-purin-8-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl] N,N-dimethylcarbamate
CID 146348542
[(E)-7-(dimethylamino)-1-[[1-[[6-(dimethylamino)-2-methyl-7H-purin-8-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid
CID 146348464
N-[1-[[6-(2-methylpropoxy)-7H-purin-8-yl]methyl]-2-oxo-3-pyridinyl]formamide
CID 170077434
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
3-amino-1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(methoxymethyl)pyridin-2-one
CID 146349622
2-(3-amino-2-oxo-1-pyridinyl)-N-(2-methylpropyl)acetamide
CID 62101797
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-(2-methylpropoxy)benzimidazol-1-yl] thiohypofluorite
CID 153402828
3-amino-1-butylpyridin-2-one
CID 62102283
3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one
CID 165473375

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one (CID 170070893) is 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one is Cc1nc(CC(C)C)c2[nH]c(Cn3cccc(N)c3=O)nc2n1.
What is the InChIKey of 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one?
The InChIKey is RCCNZBANSPSTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-9(2)7-12-14-15(19-10(3)18-12)21-13(20-14)8-22-6-4-5-11(17)16(22)23/h4-6,9H,7-8,17H2,1-3H3,(H,18,19,20,21).
What are the key properties of 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one?
3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one has a molecular weight of 312.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[2-methyl-6-(2-methylpropyl)-7H-purin-8-yl]methyl]pyridin-2-one is sourced from PubChem (CID 170070893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).