6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine

C13H14ClN3 — CID 112559630

IUPAC6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-3-17(2)12-9-11(14)15-13(16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyOFVMMXJHEQAEPU-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.25
Rot. Bonds3

About 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine

6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 112559630) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID112559630
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCN(C)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C13H14ClN3/c1-3-17(2)12-9-11(14)15-13(16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKeyOFVMMXJHEQAEPU-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine (CID 112559630) is 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine is CCN(C)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is OFVMMXJHEQAEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-3-17(2)12-9-11(14)15-13(16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine?
6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).