5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one

C11H12N4O2 — CID 135568342

IUPAC5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccccc1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H12N4O2/c1-17-8-5-3-2-4-7(8)15-10-9(12)11(16)14-6-13-10/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyDJDIULNQEZQTDE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.10
Rot. Bonds3

About 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one

5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one (PubChem CID 135568342) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
PubChem CID135568342
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccccc1Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H12N4O2/c1-17-8-5-3-2-4-7(8)15-10-9(12)11(16)14-6-13-10/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyDJDIULNQEZQTDE-UHFFFAOYSA-N
XLogP1.10
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136887855
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
methyl 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]benzoate
CID 135575665
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143
5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505
4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19147076
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555
2-N-(2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 102767348

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one (CID 135568342) is 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one is COc1ccccc1Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is DJDIULNQEZQTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-8-5-3-2-4-7(8)15-10-9(12)11(16)14-6-13-10/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one?
5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one has a molecular weight of 232.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135568342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).