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

C11H12N4O2 — CID 91621943

IUPAC2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(Nc2cnc(N)[nH]c2=O)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)14-9-6-13-11(12)15-10(9)16/h2-6,14H,1H3,(H3,12,13,15,16)
InChIKeyOEFOZKWHEKOJFN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.10
Rot. Bonds3

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

2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one (PubChem CID 91621943) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one
PubChem CID91621943
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(Nc2cnc(N)[nH]c2=O)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)14-9-6-13-11(12)15-10(9)16/h2-6,14H,1H3,(H3,12,13,15,16)
InChIKeyOEFOZKWHEKOJFN-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

6-(4-methoxyanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one
CID 158510581
3-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13441292
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
5-bromo-2-(4-methoxyanilino)cyclohepta-2,4,6-trien-1-one
CID 101076914
3-(4-methoxyanilino)-1H-pyridazin-6-one
CID 54765726
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
3-bromo-4-(4-methoxyanilino)pyrrole-2,5-dione
CID 146673844
4-[(2-amino-6-oxo-1H-pyrimidin-5-yl)carbamothioylamino]benzoic acid
CID 4270853
2-amino-3-(4-methoxyanilino)benzonitrile
CID 104716194
4-N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518501

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one (CID 91621943) is 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one is COc1ccc(Nc2cnc(N)[nH]c2=O)cc1.
What is the InChIKey of 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is OEFOZKWHEKOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)14-9-6-13-11(12)15-10(9)16/h2-6,14H,1H3,(H3,12,13,15,16).
What are the key properties of 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one?
2-amino-5-(4-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 2-amino-5-(4-methoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 91621943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).