5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine

C11H18ClN3 — CID 22768201

IUPAC5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCCCc1c(C)nc(NCC)nc1Cl
InChIInChI=1S/C11H18ClN3/c1-4-6-7-9-8(3)14-11(13-5-2)15-10(9)12/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyDSOVMXLCLZRBBP-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.21
Rot. Bonds5

About 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine

5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 22768201) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID22768201
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCCCc1c(C)nc(NCC)nc1Cl
InChIInChI=1S/C11H18ClN3/c1-4-6-7-9-8(3)14-11(13-5-2)15-10(9)12/h4-7H2,1-3H3,(H,13,14,15)
InChIKeyDSOVMXLCLZRBBP-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-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 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine (CID 22768201) is 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine is CCCCc1c(C)nc(NCC)nc1Cl.
What is the InChIKey of 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is DSOVMXLCLZRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-6-7-9-8(3)14-11(13-5-2)15-10(9)12/h4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-chloro-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 22768201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).