6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile

C16H16N4 — CID 107543315

IUPAC6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2c3ccccc3CCC2C)n1
InChIInChI=1S/C16H16N4/c1-11-9-14(10-17)19-16(18-11)20-12(2)7-8-13-5-3-4-6-15(13)20/h3-6,9,12H,7-8H2,1-2H3
InChIKeyILXXGUNORREQIZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.13
Rot. Bonds1

About 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile

6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107543315) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107543315
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2c3ccccc3CCC2C)n1
InChIInChI=1S/C16H16N4/c1-11-9-14(10-17)19-16(18-11)20-12(2)7-8-13-5-3-4-6-15(13)20/h3-6,9,12H,7-8H2,1-2H3
InChIKeyILXXGUNORREQIZ-UHFFFAOYSA-N
XLogP3.13
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-6-methylpyrimidine-4-carbonitrile
CID 124744370
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63516991
1-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 62477779
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-6-methylpyrimidine-4-carbonitrile
CID 136542274
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 63445545
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 129484751
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 155946592
N,2-dimethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80755891
[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
CID 83184186
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
CID 83180870
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-2,4-diamine
CID 80757302

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile (CID 107543315) is 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N2c3ccccc3CCC2C)n1.
What is the InChIKey of 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is ILXXGUNORREQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-9-14(10-17)19-16(18-11)20-12(2)7-8-13-5-3-4-6-15(13)20/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile?
6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).