6-tert-butylpyrimidin-4-amine

C8H13N3 — CID 713744

IUPAC6-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)ncn1
InChIInChI=1S/C8H13N3/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3,(H2,9,10,11)
InChIKeyGVFMWHPJTZVYIF-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.36
Rot. Bonds

About 6-tert-butylpyrimidin-4-amine

6-tert-butylpyrimidin-4-amine (PubChem CID 713744) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-tert-butylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butylpyrimidin-4-amine
PubChem CID713744
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name6-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)ncn1
InChIInChI=1S/C8H13N3/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3,(H2,9,10,11)
InChIKeyGVFMWHPJTZVYIF-UHFFFAOYSA-N
XLogP1.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-tert-butylpyrimidin-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-tert-butylpyrimidin-4-amine?
The IUPAC name of 6-tert-butylpyrimidin-4-amine (CID 713744) is 6-tert-butylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butylpyrimidin-4-amine is CC(C)(C)c1cc(N)ncn1.
What is the InChIKey of 6-tert-butylpyrimidin-4-amine?
The InChIKey is GVFMWHPJTZVYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3,(H2,9,10,11).
What are the key properties of 6-tert-butylpyrimidin-4-amine?
6-tert-butylpyrimidin-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyrimidin-4-amine is sourced from PubChem (CID 713744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).