2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile

C12H15N3 — CID 121206817

IUPAC2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile
SMILESCC(C)Cc1cc(C#N)nc(C2CC2)n1
InChIInChI=1S/C12H15N3/c1-8(2)5-10-6-11(7-13)15-12(14-10)9-3-4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyMYKAVWZOOSIIOV-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.42
Rot. Bonds3

About 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile

2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile (PubChem CID 121206817) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile
PubChem CID121206817
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile
SMILESCC(C)Cc1cc(C#N)nc(C2CC2)n1
InChIInChI=1S/C12H15N3/c1-8(2)5-10-6-11(7-13)15-12(14-10)9-3-4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyMYKAVWZOOSIIOV-UHFFFAOYSA-N
XLogP2.42
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile (CID 121206817) is 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile is CC(C)Cc1cc(C#N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile?
The InChIKey is MYKAVWZOOSIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8(2)5-10-6-11(7-13)15-12(14-10)9-3-4-9/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile?
2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-methylpropyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 121206817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).