6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine

C11H13ClN4 — CID 15158245

IUPAC6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine
SMILESCCCN(c1cc(Cl)ncn1)n1cccc1
InChIInChI=1S/C11H13ClN4/c1-2-5-16(15-6-3-4-7-15)11-8-10(12)13-9-14-11/h3-4,6-9H,2,5H2,1H3
InChIKeyAJXKDCQDPFBEMH-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.61
Rot. Bonds4

About 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine

6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine (PubChem CID 15158245) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine
PubChem CID15158245
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine
SMILESCCCN(c1cc(Cl)ncn1)n1cccc1
InChIInChI=1S/C11H13ClN4/c1-2-5-16(15-6-3-4-7-15)11-8-10(12)13-9-14-11/h3-4,6-9H,2,5H2,1H3
InChIKeyAJXKDCQDPFBEMH-UHFFFAOYSA-N
XLogP2.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-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-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine (CID 15158245) is 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine is CCCN(c1cc(Cl)ncn1)n1cccc1.
What is the InChIKey of 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine?
The InChIKey is AJXKDCQDPFBEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-2-5-16(15-6-3-4-7-15)11-8-10(12)13-9-14-11/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine?
6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propyl-N-pyrrol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 15158245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).