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

C17H14Cl2N4O — CID 11439833

IUPAC6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C17H14Cl2N4O/c1-24-15-7-4-11(19)8-13(15)14-9-16(23-17(20)22-14)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyCQGXEHFFOCIEIQ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.78
Rot. Bonds4

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

6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (PubChem CID 11439833) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
PubChem CID11439833
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
InChIInChI=1S/C17H14Cl2N4O/c1-24-15-7-4-11(19)8-13(15)14-9-16(23-17(20)22-14)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
InChIKeyCQGXEHFFOCIEIQ-UHFFFAOYSA-N
XLogP4.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine (CID 11439833) is 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is COc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
The InChIKey is CQGXEHFFOCIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c1-24-15-7-4-11(19)8-13(15)14-9-16(23-17(20)22-14)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine?
6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine has a molecular weight of 361.23 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11439833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).