3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile

C11H15N3 — CID 116895090

IUPAC3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile
SMILESCCCc1cc(C)nc(CCC#N)n1
InChIInChI=1S/C11H15N3/c1-3-5-10-8-9(2)13-11(14-10)6-4-7-12/h8H,3-6H2,1-2H3
InChIKeyFBGLDQYRQPFAFJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.19
Rot. Bonds4

About 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile

3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile (PubChem CID 116895090) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile
PubChem CID116895090
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile
SMILESCCCc1cc(C)nc(CCC#N)n1
InChIInChI=1S/C11H15N3/c1-3-5-10-8-9(2)13-11(14-10)6-4-7-12/h8H,3-6H2,1-2H3
InChIKeyFBGLDQYRQPFAFJ-UHFFFAOYSA-N
XLogP2.19
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile?
The IUPAC name of 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile (CID 116895090) is 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile.
What is the SMILES notation for 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile?
The canonical SMILES for 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile is CCCc1cc(C)nc(CCC#N)n1.
What is the InChIKey of 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile?
The InChIKey is FBGLDQYRQPFAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-3-5-10-8-9(2)13-11(14-10)6-4-7-12/h8H,3-6H2,1-2H3.
What are the key properties of 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile?
3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile is sourced from PubChem (CID 116895090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).