5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C14H17ClN4 — CID 44591327

IUPAC5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccccn2)nc(C)c1Cl
InChIInChI=1S/C14H17ClN4/c1-4-19(5-2)14-12(15)10(3)17-13(18-14)11-8-6-7-9-16-11/h6-9H,4-5H2,1-3H3
InChIKeyWPCGUPFZLCKKJK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.35
Rot. Bonds4

About 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44591327) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44591327
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccccn2)nc(C)c1Cl
InChIInChI=1S/C14H17ClN4/c1-4-19(5-2)14-12(15)10(3)17-13(18-14)11-8-6-7-9-16-11/h6-9H,4-5H2,1-3H3
InChIKeyWPCGUPFZLCKKJK-UHFFFAOYSA-N
XLogP3.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-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 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44591327) is 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is CCN(CC)c1nc(-c2ccccn2)nc(C)c1Cl.
What is the InChIKey of 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is WPCGUPFZLCKKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-4-19(5-2)14-12(15)10(3)17-13(18-14)11-8-6-7-9-16-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethyl-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44591327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).