4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine

C19H16ClN3O — CID 66494087

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O/c1-24-18-10-8-16(9-11-18)22-19-21-13-12-17(23-19)7-4-14-2-5-15(20)6-3-14/h2-13H,1H3,(H,21,22,23)/b7-4+
InChIKeyMWKPUZGEMHYIKK-QPJJXVBHSA-N
MW337.81 g/mol
LogP5.05
Rot. Bonds5

About 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine

4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 66494087) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID66494087
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClN3O/c1-24-18-10-8-16(9-11-18)22-19-21-13-12-17(23-19)7-4-14-2-5-15(20)6-3-14/h2-13H,1H3,(H,21,22,23)/b7-4+
InChIKeyMWKPUZGEMHYIKK-QPJJXVBHSA-N
XLogP5.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-4-N-[4-(2-pyridin-2-ylethenyl)phenyl]pyrimidine-2,4-diamine
CID 175018724
N-[4-[[4-[2-(4-methoxyphenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]-2-methylpropanamide
CID 71950843
4-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]pyrimidine
CID 57409110
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 70617138
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
N-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 130015647
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine (CID 66494087) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(Nc2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is MWKPUZGEMHYIKK-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-24-18-10-8-16(9-11-18)22-19-21-13-12-17(23-19)7-4-14-2-5-15(20)6-3-14/h2-13H,1H3,(H,21,22,23)/b7-4+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine?
4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 337.81 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 66494087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).