2,4-dimethyl-5-pentan-2-ylpyrimidine

C11H18N2 — CID 156543159

IUPAC2,4-dimethyl-5-pentan-2-ylpyrimidine
SMILESCCCC(C)c1cnc(C)nc1C
InChIInChI=1S/C11H18N2/c1-5-6-8(2)11-7-12-10(4)13-9(11)3/h7-8H,5-6H2,1-4H3
InChIKeyFVWWGXITWBGJQC-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.00
Rot. Bonds3

About 2,4-dimethyl-5-pentan-2-ylpyrimidine

2,4-dimethyl-5-pentan-2-ylpyrimidine (PubChem CID 156543159) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,4-dimethyl-5-pentan-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5-pentan-2-ylpyrimidine
PubChem CID156543159
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,4-dimethyl-5-pentan-2-ylpyrimidine
SMILESCCCC(C)c1cnc(C)nc1C
InChIInChI=1S/C11H18N2/c1-5-6-8(2)11-7-12-10(4)13-9(11)3/h7-8H,5-6H2,1-4H3
InChIKeyFVWWGXITWBGJQC-UHFFFAOYSA-N
XLogP3.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.00
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-pentan-2-ylpyrimidine?
The IUPAC name of 2,4-dimethyl-5-pentan-2-ylpyrimidine (CID 156543159) is 2,4-dimethyl-5-pentan-2-ylpyrimidine.
What is the SMILES notation for 2,4-dimethyl-5-pentan-2-ylpyrimidine?
The canonical SMILES for 2,4-dimethyl-5-pentan-2-ylpyrimidine is CCCC(C)c1cnc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-5-pentan-2-ylpyrimidine?
The InChIKey is FVWWGXITWBGJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-6-8(2)11-7-12-10(4)13-9(11)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethyl-5-pentan-2-ylpyrimidine?
2,4-dimethyl-5-pentan-2-ylpyrimidine has a molecular weight of 178.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-pentan-2-ylpyrimidine is sourced from PubChem (CID 156543159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).