6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

C17H15ClN4O — CID 112865831

IUPAC6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1
InChIInChI=1S/C17H15ClN4O/c1-23-15-4-2-3-14(9-15)22-17-10-16(19-11-20-17)21-13-7-5-12(18)6-8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyMXLLQNUPCFIUFC-UHFFFAOYSA-N
MW326.79 g/mol
LogP4.63
Rot. Bonds5

About 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112865831) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112865831
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1
InChIInChI=1S/C17H15ClN4O/c1-23-15-4-2-3-14(9-15)22-17-10-16(19-11-20-17)21-13-7-5-12(18)6-8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyMXLLQNUPCFIUFC-UHFFFAOYSA-N
XLogP4.63
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (CID 112865831) is 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is COc1cccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1.
What is the InChIKey of 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is MXLLQNUPCFIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-23-15-4-2-3-14(9-15)22-17-10-16(19-11-20-17)21-13-7-5-12(18)6-8-13/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 326.79 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112865831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).