N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine

C13H17N5 — CID 154841275

IUPACN-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine
SMILESCC(C)C(C)Nc1nccc(-c2cnccn2)n1
InChIInChI=1S/C13H17N5/c1-9(2)10(3)17-13-16-5-4-11(18-13)12-8-14-6-7-15-12/h4-10H,1-3H3,(H,16,17,18)
InChIKeyVNUFZBNMZCIZMU-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.39
Rot. Bonds4

About N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine

N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 154841275) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine
PubChem CID154841275
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine
SMILESCC(C)C(C)Nc1nccc(-c2cnccn2)n1
InChIInChI=1S/C13H17N5/c1-9(2)10(3)17-13-16-5-4-11(18-13)12-8-14-6-7-15-12/h4-10H,1-3H3,(H,16,17,18)
InChIKeyVNUFZBNMZCIZMU-UHFFFAOYSA-N
XLogP2.39
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-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 N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine (CID 154841275) is N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine is CC(C)C(C)Nc1nccc(-c2cnccn2)n1.
What is the InChIKey of N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is VNUFZBNMZCIZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9(2)10(3)17-13-16-5-4-11(18-13)12-8-14-6-7-15-12/h4-10H,1-3H3,(H,16,17,18).
What are the key properties of N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine?
N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-4-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 154841275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).