2,5-dimethyl-4-(4-methylpentyl)pyrimidine

C12H20N2 — CID 58281699

IUPAC2,5-dimethyl-4-(4-methylpentyl)pyrimidine
SMILESCc1ncc(C)c(CCCC(C)C)n1
InChIInChI=1S/C12H20N2/c1-9(2)6-5-7-12-10(3)8-13-11(4)14-12/h8-9H,5-7H2,1-4H3
InChIKeyXKCWTRYBQJYRGY-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.07
Rot. Bonds4

About 2,5-dimethyl-4-(4-methylpentyl)pyrimidine

2,5-dimethyl-4-(4-methylpentyl)pyrimidine (PubChem CID 58281699) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-methylpentyl)pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-methylpentyl)pyrimidine
PubChem CID58281699
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,5-dimethyl-4-(4-methylpentyl)pyrimidine
SMILESCc1ncc(C)c(CCCC(C)C)n1
InChIInChI=1S/C12H20N2/c1-9(2)6-5-7-12-10(3)8-13-11(4)14-12/h8-9H,5-7H2,1-4H3
InChIKeyXKCWTRYBQJYRGY-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-methylpentyl)pyrimidine?
The IUPAC name of 2,5-dimethyl-4-(4-methylpentyl)pyrimidine (CID 58281699) is 2,5-dimethyl-4-(4-methylpentyl)pyrimidine.
What is the SMILES notation for 2,5-dimethyl-4-(4-methylpentyl)pyrimidine?
The canonical SMILES for 2,5-dimethyl-4-(4-methylpentyl)pyrimidine is Cc1ncc(C)c(CCCC(C)C)n1.
What is the InChIKey of 2,5-dimethyl-4-(4-methylpentyl)pyrimidine?
The InChIKey is XKCWTRYBQJYRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)6-5-7-12-10(3)8-13-11(4)14-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,5-dimethyl-4-(4-methylpentyl)pyrimidine?
2,5-dimethyl-4-(4-methylpentyl)pyrimidine has a molecular weight of 192.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-methylpentyl)pyrimidine is sourced from PubChem (CID 58281699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).