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

C13H11ClN4O — CID 135457964

IUPAC2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11ClN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
InChIKeyUUGHFFUUNJFXJA-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.08
Rot. Bonds2

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

2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135457964) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135457964
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H11ClN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19)
InChIKeyUUGHFFUUNJFXJA-UHFFFAOYSA-N
XLogP2.08
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Peldesine
CID 135413525
2-amino-5-[(4-chlorophenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749908
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-(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
2-amino-7-(3-chlorobenzyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
CID 135457965
3-(3-Chloro-phenyl)-3-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-propionitrile
CID 135464106
3-(2-Amino-4-oxo-3H,5H-pyrrolo(3,2-d)pyrimidin-7-yl)-3-(3-chlorophenyl)propanoic acid
CID 135464166
2-Amino-7-(2-chloro-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135474256

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135457964) is 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is UUGHFFUUNJFXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c14-9-3-1-7(2-4-9)5-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-4,6,16H,5H2,(H3,15,17,18,19).
What are the key properties of 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 274.71 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(4-chlorophenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135457964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).