4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile

C15H15N3 — CID 46881451

IUPAC4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2cccc(C)c2)nc(C#N)n1
InChIInChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3
InChIKeyLWTLVKKUNGVFHE-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.28
Rot. Bonds3

About 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile

4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile (PubChem CID 46881451) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile
PubChem CID46881451
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2cccc(C)c2)nc(C#N)n1
InChIInChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3
InChIKeyLWTLVKKUNGVFHE-UHFFFAOYSA-N
XLogP3.28
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile?
The IUPAC name of 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile (CID 46881451) is 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile is CCCc1cc(-c2cccc(C)c2)nc(C#N)n1.
What is the InChIKey of 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile?
The InChIKey is LWTLVKKUNGVFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-5-13-9-14(18-15(10-16)17-13)12-7-4-6-11(2)8-12/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile?
4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-6-propylpyrimidine-2-carbonitrile is sourced from PubChem (CID 46881451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).