3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one

C15H26N2O — CID 129076949

IUPAC3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one
SMILESCCCCC(C)(CCCC)c1cc(=O)n(C)cn1
InChIInChI=1S/C15H26N2O/c1-5-7-9-15(3,10-8-6-2)13-11-14(18)17(4)12-16-13/h11-12H,5-10H2,1-4H3
InChIKeyPBNYCXYBFRLERH-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.42
Rot. Bonds7

About 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one

3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one (PubChem CID 129076949) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one
PubChem CID129076949
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one
SMILESCCCCC(C)(CCCC)c1cc(=O)n(C)cn1
InChIInChI=1S/C15H26N2O/c1-5-7-9-15(3,10-8-6-2)13-11-14(18)17(4)12-16-13/h11-12H,5-10H2,1-4H3
InChIKeyPBNYCXYBFRLERH-UHFFFAOYSA-N
XLogP3.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(5-methylnonan-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 154936668
1-methyl-4-(2-methylhexan-2-yl)imidazole
CID 129152164
6-amino-3-methylpyrimidin-4-one;ethane
CID 155738630
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
5-methyl-3-(4-methyloctan-4-yl)-1,2-thiazole
CID 146378474
2-methoxy-1-methyl-4-(6-methyldodecan-6-yl)imidazole
CID 146378115
4-(2-methylhexan-2-yl)-1H-pyrimidin-6-one
CID 137472121
3-methyl-5-(7-methyltridecan-7-yl)-1,3,4-oxadiazol-2-one
CID 154968110
3-(5-methyldecan-5-yl)-1-propan-2-yl-1,2,4-triazole
CID 138574772
2-iodo-N-(1-methyl-6-oxopyrimidin-4-yl)acetamide
CID 12778118
1-(2,2-dimethylhexyl)-4-methylimidazole
CID 146669304
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
CID 171999304

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one (CID 129076949) is 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one is CCCCC(C)(CCCC)c1cc(=O)n(C)cn1.
What is the InChIKey of 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one?
The InChIKey is PBNYCXYBFRLERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-9-15(3,10-8-6-2)13-11-14(18)17(4)12-16-13/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one?
3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one has a molecular weight of 250.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylnonan-5-yl)pyrimidin-4-one is sourced from PubChem (CID 129076949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).