2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine

C11H18N2 — CID 153329650

IUPAC2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine
SMILESCc1ncc(C(C)C(C)C)c(C)n1
InChIInChI=1S/C11H18N2/c1-7(2)8(3)11-6-12-10(5)13-9(11)4/h6-8H,1-5H3
InChIKeyOBVRALCQVFEIMX-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.85
Rot. Bonds2

About 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine

2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine (PubChem CID 153329650) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine
PubChem CID153329650
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine
SMILESCc1ncc(C(C)C(C)C)c(C)n1
InChIInChI=1S/C11H18N2/c1-7(2)8(3)11-6-12-10(5)13-9(11)4/h6-8H,1-5H3
InChIKeyOBVRALCQVFEIMX-UHFFFAOYSA-N
XLogP2.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine?
The IUPAC name of 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine (CID 153329650) is 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine.
What is the SMILES notation for 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine?
The canonical SMILES for 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine is Cc1ncc(C(C)C(C)C)c(C)n1.
What is the InChIKey of 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine?
The InChIKey is OBVRALCQVFEIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7(2)8(3)11-6-12-10(5)13-9(11)4/h6-8H,1-5H3.
What are the key properties of 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine?
2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine is sourced from PubChem (CID 153329650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).