(7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one

C17H25N5O2 — CID 148652579

IUPAC(7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
SMILESCC(=O)N1CC(Cc2nc(C)c3c(n2)N(C)C(C(C)C)C(=O)N3)C1
InChIInChI=1S/C17H25N5O2/c1-9(2)15-17(24)20-14-10(3)18-13(19-16(14)21(15)5)6-12-7-22(8-12)11(4)23/h9,12,15H,6-8H2,1-5H3,(H,20,24)
InChIKeyNMERXMHJSIDGAF-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.22
Rot. Bonds3

About (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one

(7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one (PubChem CID 148652579) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
PubChem CID148652579
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
SMILESCC(=O)N1CC(Cc2nc(C)c3c(n2)N(C)C(C(C)C)C(=O)N3)C1
InChIInChI=1S/C17H25N5O2/c1-9(2)15-17(24)20-14-10(3)18-13(19-16(14)21(15)5)6-12-7-22(8-12)11(4)23/h9,12,15H,6-8H2,1-5H3,(H,20,24)
InChIKeyNMERXMHJSIDGAF-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one 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

(7S)-4,8-dimethyl-2-[[1-[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]azetidin-3-yl]methyl]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 160924594
(7S)-2-[[1-(4-fluorophenyl)sulfonylazetidin-3-yl]methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 158963060
(7S)-2-[[3-[(5-fluoro-2-pyridinyl)amino]cyclobutyl]methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 148501173
(4-fluorophenyl) N-[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]methyl]cyclobutyl]-N-methylcarbamate
CID 158013457
(7S)-2-[[3-[(5,6-difluoro-1,3-dihydroisoindol-2-yl)methyl]cyclobutyl]methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one;methane
CID 167602923
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[(3,4,5-trifluorophenyl)methylamino]cyclobutyl]methyl]-5,7-dihydropteridin-6-one
CID 160841553
5-chloro-2-[[3-[[(7S)-4,8-dimethyl-6-oxo-7-propan-2-yl-5,7-dihydropteridin-2-yl]methyl]cyclobutyl]methyl]triazole-4-carbonitrile
CID 158813127
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]cyclobutyl]methyl]-5,7-dihydropteridin-6-one;methane
CID 167606952
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]oxymethyl]cyclobutyl]methyl]-5,7-dihydropteridin-6-one;methane;sulfane
CID 160739955
(7S)-4,8-dimethyl-2-(methylamino)-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 166645151
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[5-(trifluoromethyl)pyrazolo[3,4-c]pyridin-1-yl]methyl]cyclobutyl]methyl]-5,7-dihydropteridin-6-one;methane
CID 159518583
4,8-dimethyl-2-[[1-[2-(2-methylcyclohexyl)acetyl]azetidin-3-yl]amino]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 146202331

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one (CID 148652579) is (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one is CC(=O)N1CC(Cc2nc(C)c3c(n2)N(C)C(C(C)C)C(=O)N3)C1.
What is the InChIKey of (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one?
The InChIKey is NMERXMHJSIDGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-9(2)15-17(24)20-14-10(3)18-13(19-16(14)21(15)5)6-12-7-22(8-12)11(4)23/h9,12,15H,6-8H2,1-5H3,(H,20,24).
What are the key properties of (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one?
(7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one has a molecular weight of 331.42 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[(1-acetylazetidin-3-yl)methyl]-4,8-dimethyl-7-propan-2-yl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 148652579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).