5-methyl-2-pentan-3-ylpyrimidine

C10H16N2 — CID 91611404

IUPAC5-methyl-2-pentan-3-ylpyrimidine
SMILESCCC(CC)c1ncc(C)cn1
InChIInChI=1S/C10H16N2/c1-4-9(5-2)10-11-6-8(3)7-12-10/h6-7,9H,4-5H2,1-3H3
InChIKeyKHOZUWOAEJPUGV-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds3

About 5-methyl-2-pentan-3-ylpyrimidine

5-methyl-2-pentan-3-ylpyrimidine (PubChem CID 91611404) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-methyl-2-pentan-3-ylpyrimidine.

Molecular Properties

Compound Name5-methyl-2-pentan-3-ylpyrimidine
PubChem CID91611404
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-methyl-2-pentan-3-ylpyrimidine
SMILESCCC(CC)c1ncc(C)cn1
InChIInChI=1S/C10H16N2/c1-4-9(5-2)10-11-6-8(3)7-12-10/h6-7,9H,4-5H2,1-3H3
InChIKeyKHOZUWOAEJPUGV-UHFFFAOYSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentan-3-ylpyrimidine?
The IUPAC name of 5-methyl-2-pentan-3-ylpyrimidine (CID 91611404) is 5-methyl-2-pentan-3-ylpyrimidine.
What is the SMILES notation for 5-methyl-2-pentan-3-ylpyrimidine?
The canonical SMILES for 5-methyl-2-pentan-3-ylpyrimidine is CCC(CC)c1ncc(C)cn1.
What is the InChIKey of 5-methyl-2-pentan-3-ylpyrimidine?
The InChIKey is KHOZUWOAEJPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9(5-2)10-11-6-8(3)7-12-10/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-pentan-3-ylpyrimidine?
5-methyl-2-pentan-3-ylpyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentan-3-ylpyrimidine is sourced from PubChem (CID 91611404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).