6-(4-methoxyphenyl)pyrimidine-2,4-diamine

C11H12N4O — CID 2808121

IUPAC6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyJVWGRSYEFVJHCX-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.32
Rot. Bonds2

About 6-(4-methoxyphenyl)pyrimidine-2,4-diamine

6-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 2808121) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID2808121
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyJVWGRSYEFVJHCX-UHFFFAOYSA-N
XLogP1.32
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 2808121) is 6-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(-c2cc(N)nc(N)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is JVWGRSYEFVJHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15).
What are the key properties of 6-(4-methoxyphenyl)pyrimidine-2,4-diamine?
6-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 216.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 2808121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).