2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile

C16H15N3 — CID 116857857

IUPAC2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H15N3/c1-11-18-15(10-17)9-16(19-11)14-7-6-12-4-2-3-5-13(12)8-14/h6-9H,2-5H2,1H3
InChIKeyIVBRXIMJJKLJLQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.20
Rot. Bonds1

About 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile

2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile (PubChem CID 116857857) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile
PubChem CID116857857
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H15N3/c1-11-18-15(10-17)9-16(19-11)14-7-6-12-4-2-3-5-13(12)8-14/h6-9H,2-5H2,1H3
InChIKeyIVBRXIMJJKLJLQ-UHFFFAOYSA-N
XLogP3.20
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143303
6-(3-fluoro-4-methylphenyl)-2-methylpyrimidine-4-carbonitrile
CID 121206725
6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile
CID 116862635
2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile
CID 116857931
6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile
CID 82114384
2-methyl-6-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrimidine-4-carbonitrile
CID 116857937
6-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)pyridine-3-carbonitrile
CID 82119162
2-amino-4-methyl-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]benzonitrile
CID 90322282
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099
2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864667
4-(2,3-dihydro-1H-inden-5-yl)-2,6-dimethylpyrimidin-5-amine
CID 82388247
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile (CID 116857857) is 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile is Cc1nc(C#N)cc(-c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile?
The InChIKey is IVBRXIMJJKLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-18-15(10-17)9-16(19-11)14-7-6-12-4-2-3-5-13(12)8-14/h6-9H,2-5H2,1H3.
What are the key properties of 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile?
2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116857857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).