2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one

C18H16ClN3O3 — CID 136778551

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1cc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(OC)cc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-24-15-9-14(16(25-2)8-12(15)19)21-18-20-13(10-17(23)22-18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyUWIZVBRFUPHNHD-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.85
Rot. Bonds5

About 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one

2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136778551) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID136778551
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1cc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(OC)cc1Cl
InChIInChI=1S/C18H16ClN3O3/c1-24-15-9-14(16(25-2)8-12(15)19)21-18-20-13(10-17(23)22-18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyUWIZVBRFUPHNHD-UHFFFAOYSA-N
XLogP3.85
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778545
2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741078
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135587487
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
CID 135590630
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933524
2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
CID 135433872
2-[4-(diethylamino)-2-methylanilino]-4-phenyl-1H-pyrimidin-6-one
CID 136779229
2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one
CID 170655980
2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one (CID 136778551) is 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one is COc1cc(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is UWIZVBRFUPHNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-15-9-14(16(25-2)8-12(15)19)21-18-20-13(10-17(23)22-18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one?
2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 357.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136778551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).