6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine

C20H16ClN5 — CID 90254100

IUPAC6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C20H16ClN5/c1-12-10-13(2)23-19(22-12)26-20-24-17-9-8-15(21)11-16(17)18(25-20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23,24,25,26)
InChIKeyHNZJONNEZIWNDN-UHFFFAOYSA-N
MW361.84 g/mol
LogP5.10
Rot. Bonds3

About 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine

6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine (PubChem CID 90254100) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
PubChem CID90254100
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine
SMILESCc1cc(C)nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C20H16ClN5/c1-12-10-13(2)23-19(22-12)26-20-24-17-9-8-15(21)11-16(17)18(25-20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23,24,25,26)
InChIKeyHNZJONNEZIWNDN-UHFFFAOYSA-N
XLogP5.10
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.84
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-chloro-4-phenylquinazolin-2-yl)amino]-2-methylphenyl]benzamide
CID 140595625
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
(7-chloro-4-phenylquinazolin-2-yl)hydrazine
CID 71668544
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135587487
[2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-5-nitrophenyl]-phenylmethanone
CID 23735046
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
CID 40598517
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
CID 3851416
6-chloro-N-[3-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-phenylquinazolin-2-amine
CID 663484
7-chloro-5-phenyl-1,4-benzodiazepin-2-one
CID 23615668

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine?
The IUPAC name of 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine (CID 90254100) is 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine is Cc1cc(C)nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1.
What is the InChIKey of 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine?
The InChIKey is HNZJONNEZIWNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c1-12-10-13(2)23-19(22-12)26-20-24-17-9-8-15(21)11-16(17)18(25-20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,22,23,24,25,26).
What are the key properties of 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine?
6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine has a molecular weight of 361.84 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,6-dimethylpyrimidin-2-yl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 90254100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).