2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

C25H18ClN5O2 — CID 135587487

IUPAC2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)n2)cc1
InChIInChI=1S/C25H18ClN5O2/c1-33-18-10-7-15(8-11-18)21-14-22(32)29-24(28-21)31-25-27-20-12-9-17(26)13-19(20)23(30-25)16-5-3-2-4-6-16/h2-14H,1H3,(H2,27,28,29,30,31,32)
InChIKeyRHYJGYPAAWLSEA-UHFFFAOYSA-N
MW455.91 g/mol
LogP5.45
Rot. Bonds5

About 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135587487) has the molecular formula C25H18ClN5O2 and a molecular weight of 455.91 g/mol. Its IUPAC name is 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135587487
Molecular FormulaC25H18ClN5O2
Molecular Weight455.91 g/mol
Exact Mass455.11
IUPAC Name2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)n2)cc1
InChIInChI=1S/C25H18ClN5O2/c1-33-18-10-7-15(8-11-18)21-14-22(32)29-24(28-21)31-25-27-20-12-9-17(26)13-19(20)23(30-25)16-5-3-2-4-6-16/h2-14H,1H3,(H2,27,28,29,30,31,32)
InChIKeyRHYJGYPAAWLSEA-UHFFFAOYSA-N
XLogP5.45
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.91
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136778881
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645112
6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
CID 90254100
2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741078
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 135644170
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 136778551
N-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]nitramide
CID 136740741
4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135895760
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2-[6-chloro-2-(4-methoxyphenyl)quinolin-4-yl]aniline
CID 155387914
6-chloro-2-(4-chlorophenyl)-4-(4-methoxyphenyl)quinoline
CID 12026464

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 135587487) is 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)n2)cc1.
What is the InChIKey of 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is RHYJGYPAAWLSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O2/c1-33-18-10-7-15(8-11-18)21-14-22(32)29-24(28-21)31-25-27-20-12-9-17(26)13-19(20)23(30-25)16-5-3-2-4-6-16/h2-14H,1H3,(H2,27,28,29,30,31,32).
What are the key properties of 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 455.91 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135587487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).