4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine

C18H17ClN4O — CID 11427799

IUPAC4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)c(-c2cc(Nc3ccc(Cl)cc3)nc(N)n2)c1
InChIInChI=1S/C18H17ClN4O/c1-11-3-8-14(24-2)9-15(11)16-10-17(23-18(20)22-16)21-13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H3,20,21,22,23)
InChIKeyCYIYYYVCUSMWHL-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.44
Rot. Bonds4

About 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 11427799) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID11427799
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)c(-c2cc(Nc3ccc(Cl)cc3)nc(N)n2)c1
InChIInChI=1S/C18H17ClN4O/c1-11-3-8-14(24-2)9-15(11)16-10-17(23-18(20)22-16)21-13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H3,20,21,22,23)
InChIKeyCYIYYYVCUSMWHL-UHFFFAOYSA-N
XLogP4.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine (CID 11427799) is 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine is COc1ccc(C)c(-c2cc(Nc3ccc(Cl)cc3)nc(N)n2)c1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is CYIYYYVCUSMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-3-8-14(24-2)9-15(11)16-10-17(23-18(20)22-16)21-13-6-4-12(19)5-7-13/h3-10H,1-2H3,(H3,20,21,22,23).
What are the key properties of 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 340.81 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-(5-methoxy-2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11427799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).