2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one

C18H17N3O3 — CID 135645511

IUPAC2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-12(10-16(15)24-2)14-11-17(22)21-18(20-14)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyQGDVJEIIAUKMBX-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.20
Rot. Bonds5

About 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one

2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135645511) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135645511
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)cc1OC
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-12(10-16(15)24-2)14-11-17(22)21-18(20-14)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyQGDVJEIIAUKMBX-UHFFFAOYSA-N
XLogP3.20
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

((5Z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4H-imidazol-4-one)
CID 135398522
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(N-methylanilino)-1H-imidazol-5-one
CID 156484018
6-(3,4-Dimethoxyphenyl)-1-PH-1,6-dihydro-1,3,5-triazine-2,4-diamine hcl
CID 6602877
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methoxyanilino)-3-methylimidazol-4-one
CID 53309118
(5Z)-2-anilino-5-(1,3-benzodioxol-5-ylmethylidene)-3-methylimidazol-4-one
CID 56676630
(2Z,5Z)-5-(4-methoxybenzylidene)-2-(phenylimino)-4-imidazolidinone
CID 135747162
(4E)-2-anilino-4-(1,3-benzodioxol-5-ylmethylidene)-1H-imidazol-5-one
CID 135909380
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylanilino)-1H-imidazol-5-one
CID 136033545
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methoxyanilino)-1H-imidazol-5-one
CID 136033547
2-amino-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-pyrimidin-6-one
CID 136216655
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-phenoxyanilino)-1H-imidazol-5-one
CID 168271016
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-(4-fluoroanilino)-1H-imidazol-5-one
CID 168272336

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one (CID 135645511) is 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)cc1OC.
What is the InChIKey of 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is QGDVJEIIAUKMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-9-8-12(10-16(15)24-2)14-11-17(22)21-18(20-14)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one?
2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 323.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135645511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).