2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile

C15H15ClN4 — CID 107544416

IUPAC2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN4/c1-10-7-14(9-17)19-15(18-10)20(3)11(2)12-5-4-6-13(16)8-12/h4-8,11H,1-3H3
InChIKeyPDRPGDFPDLAXDT-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.51
Rot. Bonds3

About 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile

2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544416) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544416
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)C(C)c2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN4/c1-10-7-14(9-17)19-15(18-10)20(3)11(2)12-5-4-6-13(16)8-12/h4-8,11H,1-3H3
InChIKeyPDRPGDFPDLAXDT-UHFFFAOYSA-N
XLogP3.51
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-[1-(3-chlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 116796862
2-[1-(3-chlorophenyl)ethyl-methylamino]-5-fluorobenzonitrile
CID 63668363
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]propanoic acid
CID 107542940
3-bromo-5-[1-(3-chlorophenyl)ethyl-methylamino]benzonitrile
CID 102816302
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62985300
N-[1-(3-aminophenyl)ethyl]-N,4-dimethylpyrimidin-2-amine
CID 62958579
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
4-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80725929
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543256
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
CID 107542920

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile (CID 107544416) is 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N(C)C(C)c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is PDRPGDFPDLAXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-7-14(9-17)19-15(18-10)20(3)11(2)12-5-4-6-13(16)8-12/h4-8,11H,1-3H3.
What are the key properties of 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile?
2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 286.77 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).