6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile

C9H11N3 — CID 166590118

IUPAC6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(C(C)C)n1
InChIInChI=1S/C9H11N3/c1-6(2)9-11-7(3)4-8(5-10)12-9/h4,6H,1-3H3
InChIKeyCDQOSMINTJACDP-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.78
Rot. Bonds1

About 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile

6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile (PubChem CID 166590118) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile
PubChem CID166590118
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(C(C)C)n1
InChIInChI=1S/C9H11N3/c1-6(2)9-11-7(3)4-8(5-10)12-9/h4,6H,1-3H3
InChIKeyCDQOSMINTJACDP-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-methyl-2-propan-2-ylpyrimidine
CID 43517260
6-methyl-2-(2-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545714
4-fluoro-6-methyl-2-propan-2-ylpyrimidine
CID 173416420
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
4-iodo-6-methylpyridine-2-carbonitrile
CID 46835594
6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
CID 107546085
6-methyl-2-(2-propan-2-yloxyethoxy)pyrimidine-4-carbonitrile
CID 107545618
2-(4-chlorobutan-2-ylsulfanyl)-6-methylpyrimidine-4-carbonitrile
CID 107552192
6-butyl-2-propan-2-ylpyrimidine-4-carbonitrile;6-chloro-2-propan-2-ylpyrimidine-4-carbonitrile
CID 176993520
5-amino-4-methyl-6-propan-2-ylpyridine-2-carbonitrile
CID 146236364
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]propanoic acid
CID 107542940
6-(3-fluorophenoxy)-2-propan-2-ylpyrimidine-4-carbonitrile
CID 130395946

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile (CID 166590118) is 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile?
The InChIKey is CDQOSMINTJACDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6(2)9-11-7(3)4-8(5-10)12-9/h4,6H,1-3H3.
What are the key properties of 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile?
6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 166590118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).