2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one

C10H16N2O2 — CID 116744920

IUPAC2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nccc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-10(5-2,14-3)9-11-7-6-8(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeySNMLEYNVWROCNH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.43
Rot. Bonds4

About 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one

2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one (PubChem CID 116744920) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
PubChem CID116744920
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nccc(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-4-10(5-2,14-3)9-11-7-6-8(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeySNMLEYNVWROCNH-UHFFFAOYSA-N
XLogP1.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one
CID 95380525
4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
CID 116745099
2-(2-methoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476455
2-(3-methoxypentan-3-yl)pyrimidine-4-carbaldehyde
CID 116778369
5-ethyl-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963664
CID 172758023
CID 172758023
2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 106814924
2-butyl-1H-pyrimidin-6-one
CID 10511035
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617
2-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 65130539
4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136960473
2-(3-ethoxypentan-3-yl)pyrimidine-4-carbaldehyde
CID 116778368

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one (CID 116744920) is 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one is CCC(CC)(OC)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is SNMLEYNVWROCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-10(5-2,14-3)9-11-7-6-8(13)12-9/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one?
2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).