2-(3-methoxyanilino)-1H-pyrimidin-6-one

C11H11N3O2 — CID 716132

IUPAC2-(3-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1cccc(Nc2nccc(=O)[nH]2)c1
InChIInChI=1S/C11H11N3O2/c1-16-9-4-2-3-8(7-9)13-11-12-6-5-10(15)14-11/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyXLEFZUYVIWKGSI-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.52
Rot. Bonds3

About 2-(3-methoxyanilino)-1H-pyrimidin-6-one

2-(3-methoxyanilino)-1H-pyrimidin-6-one (PubChem CID 716132) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-1H-pyrimidin-6-one
PubChem CID716132
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(3-methoxyanilino)-1H-pyrimidin-6-one
SMILESCOc1cccc(Nc2nccc(=O)[nH]2)c1
InChIInChI=1S/C11H11N3O2/c1-16-9-4-2-3-8(7-9)13-11-12-6-5-10(15)14-11/h2-7H,1H3,(H2,12,13,14,15)
InChIKeyXLEFZUYVIWKGSI-UHFFFAOYSA-N
XLogP1.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,5-trimethoxyanilino)-1H-pyrimidin-6-one
CID 58154487
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
3-(3-methoxyanilino)-4-(methylamino)cyclobut-3-ene-1,2-dione
CID 135173403
2-(3,4-diamino-2-methoxyanilino)-1H-pyrimidin-6-one
CID 70633541
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methoxyanilino)-1H-pyrimidin-6-one (CID 716132) is 2-(3-methoxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methoxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methoxyanilino)-1H-pyrimidin-6-one is COc1cccc(Nc2nccc(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-1H-pyrimidin-6-one?
The InChIKey is XLEFZUYVIWKGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-9-4-2-3-8(7-9)13-11-12-6-5-10(15)14-11/h2-7H,1H3,(H2,12,13,14,15).
What are the key properties of 2-(3-methoxyanilino)-1H-pyrimidin-6-one?
2-(3-methoxyanilino)-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 716132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).