6-propan-2-ylpyrimidin-4-amine

C7H11N3 — CID 21050418

IUPAC6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)ncn1
InChIInChI=1S/C7H11N3/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyZVKFQZPWQXBUOJ-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.18
Rot. Bonds1

About 6-propan-2-ylpyrimidin-4-amine

6-propan-2-ylpyrimidin-4-amine (PubChem CID 21050418) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-ylpyrimidin-4-amine
PubChem CID21050418
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(N)ncn1
InChIInChI=1S/C7H11N3/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3,(H2,8,9,10)
InChIKeyZVKFQZPWQXBUOJ-UHFFFAOYSA-N
XLogP1.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-propan-2-ylpyrimidin-4-amine (CID 21050418) is 6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(N)ncn1.
What is the InChIKey of 6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZVKFQZPWQXBUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 6-propan-2-ylpyrimidin-4-amine?
6-propan-2-ylpyrimidin-4-amine has a molecular weight of 137.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 21050418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).