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

C14H14N4O — CID 135412717

IUPAC2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cccc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)c1
InChIInChI=1S/C14H14N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h2-5,7,16H,6H2,1H3,(H3,15,17,18,19)
InChIKeyICFRYSRRTZTEHG-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.73
Rot. Bonds2

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

2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135412717) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135412717
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cccc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)c1
InChIInChI=1S/C14H14N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h2-5,7,16H,6H2,1H3,(H3,15,17,18,19)
InChIKeyICFRYSRRTZTEHG-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
[5-(2-Amino-4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)-1,1-Difluoropentyl]phosphonic Acid
CID 135566455
9-Deaza-9-(3-thienylmethyl)guanine
CID 135512468
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154641364
9-[6'',6''-Difluoro-6''-(diethylphosphono)hexyl]-9-deazaguanine
CID 136066048
9-[7'',7''-Difluoro-7''-(diethylphosphono)heptyl]-9-deazaguanine
CID 136066049
2-Amino-7-(8-diethoxyphosphoryl-8,8-difluorooctyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136066050
2-Amino-7-(3-trifluoromethyl-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135400988
2-Amino-7-(3-fluoro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412719
2-Amino-7-(3,4-dichloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135412825
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135412717) is 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Cc1cccc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)c1.
What is the InChIKey of 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ICFRYSRRTZTEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-3-2-4-9(5-8)6-10-7-16-12-11(10)17-14(15)18-13(12)19/h2-5,7,16H,6H2,1H3,(H3,15,17,18,19).
What are the key properties of 2-amino-7-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(3-methylphenyl)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-[(3-methylphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135412717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).