2-(3-methylpentyl)pyrimidine

C10H16N2 — CID 57256204

IUPAC2-(3-methylpentyl)pyrimidine
SMILESCCC(C)CCc1ncccn1
InChIInChI=1S/C10H16N2/c1-3-9(2)5-6-10-11-7-4-8-12-10/h4,7-9H,3,5-6H2,1-2H3
InChIKeyFEGPBJIZHPJJFY-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.46
Rot. Bonds4

About 2-(3-methylpentyl)pyrimidine

2-(3-methylpentyl)pyrimidine (PubChem CID 57256204) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(3-methylpentyl)pyrimidine.

Molecular Properties

Compound Name2-(3-methylpentyl)pyrimidine
PubChem CID57256204
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(3-methylpentyl)pyrimidine
SMILESCCC(C)CCc1ncccn1
InChIInChI=1S/C10H16N2/c1-3-9(2)5-6-10-11-7-4-8-12-10/h4,7-9H,3,5-6H2,1-2H3
InChIKeyFEGPBJIZHPJJFY-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(2-methylbutyl)pyrimidine
CID 170603864
2-(7-methylnonan-4-yloxy)pyrimidine
CID 57042354
1,5-bis(3-methylpentyl)naphthalene
CID 18760982
2-nonylpyrimidine
CID 23297050
2-(3-methylhexyl)-4-propylpyrimidine
CID 142121373
2-methyl-5-(3-methylpentyl)-1,3-thiazole
CID 90806194
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
1,3-dibromo-2-(3-methylpentyl)benzene
CID 59009897
2-dodecylpyrimidine;methane
CID 174491203
ethane;2-(2-methylpropyl)pyrimidine
CID 169144494
4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine
CID 123825772
1-cyclopropyl-3-pyrimidin-2-ylpropan-1-ol
CID 79436464

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpentyl)pyrimidine?
The IUPAC name of 2-(3-methylpentyl)pyrimidine (CID 57256204) is 2-(3-methylpentyl)pyrimidine.
What is the SMILES notation for 2-(3-methylpentyl)pyrimidine?
The canonical SMILES for 2-(3-methylpentyl)pyrimidine is CCC(C)CCc1ncccn1.
What is the InChIKey of 2-(3-methylpentyl)pyrimidine?
The InChIKey is FEGPBJIZHPJJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-9(2)5-6-10-11-7-4-8-12-10/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of 2-(3-methylpentyl)pyrimidine?
2-(3-methylpentyl)pyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpentyl)pyrimidine is sourced from PubChem (CID 57256204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).