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

C14H14N4O — CID 135984646

IUPAC2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1[nH]c2c(=O)[nH]c(N)nc2c1Cc1ccccc1
InChIInChI=1S/C14H14N4O/c1-8-10(7-9-5-3-2-4-6-9)11-12(16-8)13(19)18-14(15)17-11/h2-6,16H,7H2,1H3,(H3,15,17,18,19)
InChIKeyNUTPVMNRAMMBFT-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.73
Rot. Bonds2

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

2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135984646) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135984646
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1[nH]c2c(=O)[nH]c(N)nc2c1Cc1ccccc1
InChIInChI=1S/C14H14N4O/c1-8-10(7-9-5-3-2-4-6-9)11-12(16-8)13(19)18-14(15)17-11/h2-6,16H,7H2,1H3,(H3,15,17,18,19)
InChIKeyNUTPVMNRAMMBFT-UHFFFAOYSA-N
XLogP1.73
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
N-(2-methylcarbamoyl-5-tert-butyl-3-pyrrolyl)-N'-(4-methylphenyl)urea
CID 10268342
1,3-dimethyl-6-phenyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 12267225
2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400988
2-Amino-7-(3-methyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412717
2-Amino-7-(3-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412719
2-amino-7-benzyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135433598
7-Benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135449028
2-Amino-7-(4-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135457964
2-amino-7-(3-chlorobenzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135457965
2-Amino-7-(2-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135474256
2-Amino-7-cyclohexylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135496257

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135984646) is 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Cc1[nH]c2c(=O)[nH]c(N)nc2c1Cc1ccccc1.
What is the InChIKey of 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is NUTPVMNRAMMBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-10(7-9-5-3-2-4-6-9)11-12(16-8)13(19)18-14(15)17-11/h2-6,16H,7H2,1H3,(H3,15,17,18,19).
What are the key properties of 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 254.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-benzyl-6-methyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135984646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).