2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

C15H16N4O2 — CID 135749911

IUPAC2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2c(C)cc3nc(N)[nH]c(=O)c32)cc1
InChIInChI=1S/C15H16N4O2/c1-9-7-12-13(14(20)18-15(16)17-12)19(9)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H3,16,17,18,20)
InChIKeyJRTRRGFUCMJTIT-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135749911) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135749911
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2c(C)cc3nc(N)[nH]c(=O)c32)cc1
InChIInChI=1S/C15H16N4O2/c1-9-7-12-13(14(20)18-15(16)17-12)19(9)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H3,16,17,18,20)
InChIKeyJRTRRGFUCMJTIT-UHFFFAOYSA-N
XLogP1.67
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749912
3-[2-(4-Methoxy-phenyl)-ethyl]-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 917283
8-Fluoro-3-(4-methoxy-benzyl)-5-methyl-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 1870623
3-(2-Cyclohex-1-enyl-ethyl)-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 936087
2-Amino-7-(3-methoxy-benzyl)-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135453917
N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 135982344
5-(4-methoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832625
8-Methoxy-5-methyl-3-(2-piperazin-1-yl-ethyl)-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 1960917
3-Butyl-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
CID 1969155
6-(4-methoxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 44588472
5-hydroxy-6-(4-methoxyphenyl)-1,3-dipropyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
CID 44588473
6-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 71562929

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 135749911) is 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is COc1ccc(Cn2c(C)cc3nc(N)[nH]c(=O)c32)cc1.
What is the InChIKey of 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is JRTRRGFUCMJTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-12-13(14(20)18-15(16)17-12)19(9)8-10-3-5-11(21-2)6-4-10/h3-7H,8H2,1-2H3,(H3,16,17,18,20).
What are the key properties of 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 284.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methoxyphenyl)methyl]-6-methyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135749911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).