6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine

C18H16Cl2N4O — CID 11164727

IUPAC6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C18H16Cl2N4O/c1-2-25-16-8-5-12(20)9-14(16)15-10-17(24-18(21)23-15)22-13-6-3-11(19)4-7-13/h3-10H,2H2,1H3,(H3,21,22,23,24)
InChIKeyWLWNQKRPHMLMAT-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.17
Rot. Bonds5

About 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine

6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (PubChem CID 11164727) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
PubChem CID11164727
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C18H16Cl2N4O/c1-2-25-16-8-5-12(20)9-14(16)15-10-17(24-18(21)23-15)22-13-6-3-11(19)4-7-13/h3-10H,2H2,1H3,(H3,21,22,23,24)
InChIKeyWLWNQKRPHMLMAT-UHFFFAOYSA-N
XLogP5.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine 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

5-(3-Chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
CID 10927461
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 10309295
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
7-(5-Chloro-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine
CID 56659281
5-(3-Chlorophenyl)-6-(5-phenoxypentyl)pyrimidine-2,4-diamine;hydrochloride
CID 155512559
Ethyl 4-[2-[2-[2,6-diamino-5-(3-chlorophenyl)pyrimidin-4-yl]ethyl]phenoxy]butanoate;hydrochloride
CID 155517476
5-(3-Chlorophenyl)-6-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-2,4-diamine;hydrochloride
CID 155527394
5-(3-Chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine;hydrochloride
CID 155550798
5-(3-Chlorophenyl)-6-(4-phenoxybutyl)pyrimidine-2,4-diamine;hydrochloride
CID 155557612
2-{(6Z)-6-[(4-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
CID 719255
N2-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-6-methyl-pyrimidine-2,4-diamine
CID 15956131

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (CID 11164727) is 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1.
What is the InChIKey of 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WLWNQKRPHMLMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-2-25-16-8-5-12(20)9-14(16)15-10-17(24-18(21)23-15)22-13-6-3-11(19)4-7-13/h3-10H,2H2,1H3,(H3,21,22,23,24).
What are the key properties of 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 375.26 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-ethoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11164727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).