4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine

C10H16ClN3 — CID 130009210

IUPAC4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H16ClN3/c1-6(2)8(4)13-10-12-7(3)5-9(11)14-10/h5-6,8H,1-4H3,(H,12,13,14)
InChIKeyRRURUAFWOVIVGN-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.89
Rot. Bonds3

About 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine

4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine (PubChem CID 130009210) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
PubChem CID130009210
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H16ClN3/c1-6(2)8(4)13-10-12-7(3)5-9(11)14-10/h5-6,8H,1-4H3,(H,12,13,14)
InChIKeyRRURUAFWOVIVGN-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-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 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine (CID 130009210) is 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine is Cc1cc(Cl)nc(NC(C)C(C)C)n1.
What is the InChIKey of 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is RRURUAFWOVIVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6(2)8(4)13-10-12-7(3)5-9(11)14-10/h5-6,8H,1-4H3,(H,12,13,14).
What are the key properties of 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine?
4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 130009210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).