2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C14H14N4O — CID 137275792

IUPAC2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1
InChIInChI=1S/C14H14N4O/c1-7-3-5-9(6-4-7)10-8(2)16-12-11(10)13(19)18-14(15)17-12/h3-6H,1-2H3,(H4,15,16,17,18,19)
InChIKeyYFBAUGOBZJGUNQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.12
Rot. Bonds1

About 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137275792) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137275792
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1
InChIInChI=1S/C14H14N4O/c1-7-3-5-9(6-4-7)10-8(2)16-12-11(10)13(19)18-14(15)17-12/h3-6H,1-2H3,(H4,15,16,17,18,19)
InChIKeyYFBAUGOBZJGUNQ-UHFFFAOYSA-N
XLogP2.12
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137300511
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135656204
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
CID 162327470
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(3-fluoro-4-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135512514
methyl 4-[2-(2-amino-6-methyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
CID 135405210
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
4-hydroxy-5-(4-methylphenyl)-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
CID 79435826
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579
6-methyl-5-(4-methylphenyl)-2-methylsulfonyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82321987
4-[(2-amino-6-methyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-fluorobenzoic acid
CID 135489122

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137275792) is 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1ccc(-c2c(C)[nH]c3nc(N)[nH]c(=O)c23)cc1.
What is the InChIKey of 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YFBAUGOBZJGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-7-3-5-9(6-4-7)10-8(2)16-12-11(10)13(19)18-14(15)17-12/h3-6H,1-2H3,(H4,15,16,17,18,19).
What are the key properties of 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 254.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137275792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).