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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Related Compounds

2,4-dimethyl-5-(3-methylbutan-2-yl)pyrimidine
CID 153329650
2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 176552982
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-2-methylbutan-2-amine
CID 115919204
5-methyl-3-pentan-2-ylpyridin-2-amine
CID 107887874
5-methyl-2-pentan-2-ylpyridine
CID 121401028
3-methyl-4-pentan-2-yl-1,2-thiazole
CID 134444572
(2S)-1-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propan-2-ol
CID 103906385
3-methyl-4-pentan-2-ylpyridine
CID 143325066
N,6-dimethyl-5-pentan-2-ylpyridine-2-carboxamide
CID 170981331
2-pentan-2-yl-6-propan-2-ylpyrazine
CID 137452291
5-bromo-2-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 131140618

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).