2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C15H16N4O — CID 135449089

IUPAC2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(CCc2cc3c(=O)[nH]c(N)nc3[nH]2)cc1
InChIInChI=1S/C15H16N4O/c1-9-2-4-10(5-3-9)6-7-11-8-12-13(17-11)18-15(16)19-14(12)20/h2-5,8H,6-7H2,1H3,(H4,16,17,18,19,20)
InChIKeyFSMLONPMWSVMKK-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135449089) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135449089
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(CCc2cc3c(=O)[nH]c(N)nc3[nH]2)cc1
InChIInChI=1S/C15H16N4O/c1-9-2-4-10(5-3-9)6-7-11-8-12-13(17-11)18-15(16)19-14(12)20/h2-5,8H,6-7H2,1H3,(H4,16,17,18,19,20)
InChIKeyFSMLONPMWSVMKK-UHFFFAOYSA-N
XLogP1.93
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-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

N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic Acid
CID 135567027
6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 18
CID 135524108
Pyrrolo-pyrimidone, 12
CID 135524115
Pyrrolo-pyrimidone, 9
CID 135524117
2-Benzyl-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524134
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
(S)-2-(4-(3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl)benzamido)pentanedioic acid
CID 135800109
2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135449089) is 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1ccc(CCc2cc3c(=O)[nH]c(N)nc3[nH]2)cc1.
What is the InChIKey of 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is FSMLONPMWSVMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-2-4-10(5-3-9)6-7-11-8-12-13(17-11)18-15(16)19-14(12)20/h2-5,8H,6-7H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 268.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(4-methylphenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135449089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).