4-(3-aminophenyl)pyrimidin-2-amine

C10H10N4 — CID 55250731

IUPAC4-(3-aminophenyl)pyrimidin-2-amine
SMILESNc1cccc(-c2ccnc(N)n2)c1
InChIInChI=1S/C10H10N4/c11-8-3-1-2-7(6-8)9-4-5-13-10(12)14-9/h1-6H,11H2,(H2,12,13,14)
InChIKeyJCGJBQBCEYMKRT-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.31
Rot. Bonds1

About 4-(3-aminophenyl)pyrimidin-2-amine

4-(3-aminophenyl)pyrimidin-2-amine (PubChem CID 55250731) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-(3-aminophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)pyrimidin-2-amine
PubChem CID55250731
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name4-(3-aminophenyl)pyrimidin-2-amine
SMILESNc1cccc(-c2ccnc(N)n2)c1
InChIInChI=1S/C10H10N4/c11-8-3-1-2-7(6-8)9-4-5-13-10(12)14-9/h1-6H,11H2,(H2,12,13,14)
InChIKeyJCGJBQBCEYMKRT-UHFFFAOYSA-N
XLogP1.31
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminophenyl)pyrimidin-2-amine (CID 55250731) is 4-(3-aminophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminophenyl)pyrimidin-2-amine is Nc1cccc(-c2ccnc(N)n2)c1.
What is the InChIKey of 4-(3-aminophenyl)pyrimidin-2-amine?
The InChIKey is JCGJBQBCEYMKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c11-8-3-1-2-7(6-8)9-4-5-13-10(12)14-9/h1-6H,11H2,(H2,12,13,14).
What are the key properties of 4-(3-aminophenyl)pyrimidin-2-amine?
4-(3-aminophenyl)pyrimidin-2-amine has a molecular weight of 186.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)pyrimidin-2-amine is sourced from PubChem (CID 55250731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).