5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine

C11H18ClN3 — CID 133356912

IUPAC5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
SMILESCCC(C)CN(CC)c1ncc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-4-9(3)8-15(5-2)11-13-6-10(12)7-14-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRYAOXHJWSIHCSW-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.00
Rot. Bonds5

About 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine

5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine (PubChem CID 133356912) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
PubChem CID133356912
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine
SMILESCCC(C)CN(CC)c1ncc(Cl)cn1
InChIInChI=1S/C11H18ClN3/c1-4-9(3)8-15(5-2)11-13-6-10(12)7-14-11/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRYAOXHJWSIHCSW-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-ethyl-N-(2-methylbutyl)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 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine (CID 133356912) is 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine is CCC(C)CN(CC)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
The InChIKey is RYAOXHJWSIHCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-9(3)8-15(5-2)11-13-6-10(12)7-14-11/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine?
5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 133356912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).