6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine

C18H15BrClN3O — CID 42606877

IUPAC6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H15BrClN3O/c1-2-24-17-8-3-12(19)9-15(17)16-10-18(22-11-21-16)23-14-6-4-13(20)5-7-14/h3-11H,2H2,1H3,(H,21,22,23)
InChIKeyYMFKHUHQMZLTCX-UHFFFAOYSA-N
MW404.70 g/mol
LogP5.70
Rot. Bonds5

About 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine

6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine (PubChem CID 42606877) has the molecular formula C18H15BrClN3O and a molecular weight of 404.70 g/mol. Its IUPAC name is 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine
PubChem CID42606877
Molecular FormulaC18H15BrClN3O
Molecular Weight404.70 g/mol
Exact Mass403.01
IUPAC Name6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H15BrClN3O/c1-2-24-17-8-3-12(19)9-15(17)16-10-18(22-11-21-16)23-14-6-4-13(20)5-7-14/h3-11H,2H2,1H3,(H,21,22,23)
InChIKeyYMFKHUHQMZLTCX-UHFFFAOYSA-N
XLogP5.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.70
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-bromo-2-butoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607220
6-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607106
(NE)-N-[1-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 59788231
6-(5-bromo-2-propan-2-yloxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788223
4-(5-bromo-2-ethoxyphenyl)-6-chloropyrimidin-2-amine
CID 86004337
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
1-[4-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfinamide
CID 145497672
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542
methyl 2-ethoxy-5-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzoate
CID 144580770
6-[5-bromo-2-[(2-methoxyphenoxy)methyl]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788238
[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-aminoacetate
CID 11235689
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine (CID 42606877) is 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine is CCOc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine?
The InChIKey is YMFKHUHQMZLTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O/c1-2-24-17-8-3-12(19)9-15(17)16-10-18(22-11-21-16)23-14-6-4-13(20)5-7-14/h3-11H,2H2,1H3,(H,21,22,23).
What are the key properties of 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine?
6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine has a molecular weight of 404.70 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 42606877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).