6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine

C16H18ClN3 — CID 133416328

IUPAC6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(c1ccccc1)N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C16H18ClN3/c1-11(12-6-4-3-5-7-12)20(2)15-10-14(17)18-16(19-15)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyFIJIAWSXZMKPGB-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.20
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 133416328) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID133416328
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(c1ccccc1)N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C16H18ClN3/c1-11(12-6-4-3-5-7-12)20(2)15-10-14(17)18-16(19-15)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3
InChIKeyFIJIAWSXZMKPGB-UHFFFAOYSA-N
XLogP4.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-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-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine (CID 133416328) is 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine is CC(c1ccccc1)N(C)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is FIJIAWSXZMKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-11(12-6-4-3-5-7-12)20(2)15-10-14(17)18-16(19-15)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 287.79 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 133416328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).