6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C13H21ClN4 — CID 55231240

IUPAC6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCCN2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-10-12(14)16-11(2)17-13(10)15-6-5-9-18-7-3-4-8-18/h3-9H2,1-2H3,(H,15,16,17)
InChIKeyZUEIAIHYOUCUND-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.64
Rot. Bonds5

About 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 55231240) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID55231240
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCCN2CCCC2)n1
InChIInChI=1S/C13H21ClN4/c1-10-12(14)16-11(2)17-13(10)15-6-5-9-18-7-3-4-8-18/h3-9H2,1-2H3,(H,15,16,17)
InChIKeyZUEIAIHYOUCUND-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)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-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 55231240) is 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCCCN2CCCC2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is ZUEIAIHYOUCUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-12(14)16-11(2)17-13(10)15-6-5-9-18-7-3-4-8-18/h3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 55231240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).