6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine

C14H16ClN3 — CID 796090

IUPAC6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3/c1-3-18(4-2)13-10-12(15)16-14(17-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyFCPGQHILDSVNSA-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.64
Rot. Bonds4

About 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine

6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine (PubChem CID 796090) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
PubChem CID796090
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3/c1-3-18(4-2)13-10-12(15)16-14(17-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyFCPGQHILDSVNSA-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N,N-diethyl-2-phenylpyrimidin-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,N-diethyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine (CID 796090) is 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine is CCN(CC)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine?
The InChIKey is FCPGQHILDSVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-3-18(4-2)13-10-12(15)16-14(17-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine?
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 796090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).