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

C14H14N4O2 — CID 135519058

IUPAC2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)cc1
InChIInChI=1S/C14H14N4O2/c1-20-10-4-2-8(3-5-10)6-9-7-16-12-11(9)17-14(15)18-13(12)19/h2-5,7,16H,6H2,1H3,(H3,15,17,18,19)
InChIKeySSSGFAWBFNLHPH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.43
Rot. Bonds3

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

2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135519058) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135519058
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)cc1
InChIInChI=1S/C14H14N4O2/c1-20-10-4-2-8(3-5-10)6-9-7-16-12-11(9)17-14(15)18-13(12)19/h2-5,7,16H,6H2,1H3,(H3,15,17,18,19)
InChIKeySSSGFAWBFNLHPH-UHFFFAOYSA-N
XLogP1.43
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135519058) is 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is COc1ccc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)cc1.
What is the InChIKey of 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is SSSGFAWBFNLHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-10-4-2-8(3-5-10)6-9-7-16-12-11(9)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-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 270.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(4-methoxyphenyl)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135519058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).