4-(4-methylphenyl)pyrimidin-2-amine

C11H11N3 — CID 2735370

IUPAC4-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N)n2)cc1
InChIInChI=1S/C11H11N3/c1-8-2-4-9(5-3-8)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)
InChIKeySEAVIOKUWQLSPU-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.03
Rot. Bonds1

About 4-(4-methylphenyl)pyrimidin-2-amine

4-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 2735370) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)pyrimidin-2-amine
PubChem CID2735370
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name4-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2ccnc(N)n2)cc1
InChIInChI=1S/C11H11N3/c1-8-2-4-9(5-3-8)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)
InChIKeySEAVIOKUWQLSPU-UHFFFAOYSA-N
XLogP2.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylphenyl)pyrimidin-2-amine (CID 2735370) is 4-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(-c2ccnc(N)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is SEAVIOKUWQLSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-8-2-4-9(5-3-8)10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 4-(4-methylphenyl)pyrimidin-2-amine?
4-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 185.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 2735370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).