2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile

C11H15N3 — CID 121206724

IUPAC2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile
SMILESCCC(CC)c1cc(C#N)nc(C)n1
InChIInChI=1S/C11H15N3/c1-4-9(5-2)11-6-10(7-12)13-8(3)14-11/h6,9H,4-5H2,1-3H3
InChIKeyJTANOYHWEIKKHE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile

2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile (PubChem CID 121206724) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile
PubChem CID121206724
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile
SMILESCCC(CC)c1cc(C#N)nc(C)n1
InChIInChI=1S/C11H15N3/c1-4-9(5-2)11-6-10(7-12)13-8(3)14-11/h6,9H,4-5H2,1-3H3
InChIKeyJTANOYHWEIKKHE-UHFFFAOYSA-N
XLogP2.56
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile?
The IUPAC name of 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile (CID 121206724) is 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile is CCC(CC)c1cc(C#N)nc(C)n1.
What is the InChIKey of 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile?
The InChIKey is JTANOYHWEIKKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-9(5-2)11-6-10(7-12)13-8(3)14-11/h6,9H,4-5H2,1-3H3.
What are the key properties of 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile?
2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentan-3-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 121206724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).