3-methyl-3-pyrimidin-5-ylcyclopentan-1-one

C10H12N2O — CID 116538385

IUPAC3-methyl-3-pyrimidin-5-ylcyclopentan-1-one
SMILESCC1(c2cncnc2)CCC(=O)C1
InChIInChI=1S/C10H12N2O/c1-10(3-2-9(13)4-10)8-5-11-7-12-6-8/h5-7H,2-4H2,1H3
InChIKeyIFPYEADVHLNKIT-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.49
Rot. Bonds1

About 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one

3-methyl-3-pyrimidin-5-ylcyclopentan-1-one (PubChem CID 116538385) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-pyrimidin-5-ylcyclopentan-1-one
PubChem CID116538385
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-methyl-3-pyrimidin-5-ylcyclopentan-1-one
SMILESCC1(c2cncnc2)CCC(=O)C1
InChIInChI=1S/C10H12N2O/c1-10(3-2-9(13)4-10)8-5-11-7-12-6-8/h5-7H,2-4H2,1H3
InChIKeyIFPYEADVHLNKIT-UHFFFAOYSA-N
XLogP1.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(5-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538519
3-(2-methoxypyrimidin-5-yl)-3-methylcyclopentan-1-one
CID 130533890
5-(1-methylcyclopropyl)pyrimidine
CID 134554594
3-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-one
CID 116538630
3-methyl-3-pyrazin-2-ylcyclopentan-1-one
CID 116538563
3-methyl-3-(4-methyl-3-pyridinyl)cyclopentan-1-one
CID 116538479
3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one
CID 116538540
3-methyl-3-naphthalen-2-ylcyclopentan-1-one
CID 116538503
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylcyclopentan-1-one
CID 116538559
3-(4-cyclopropyloxyphenyl)-3-methylcyclopentan-1-one
CID 114520131
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
3-(3,4-diethoxyphenyl)-3-methylcyclopentan-1-one
CID 116538472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one?
The IUPAC name of 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one (CID 116538385) is 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one?
The canonical SMILES for 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one is CC1(c2cncnc2)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one?
The InChIKey is IFPYEADVHLNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(3-2-9(13)4-10)8-5-11-7-12-6-8/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one?
3-methyl-3-pyrimidin-5-ylcyclopentan-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrimidin-5-ylcyclopentan-1-one is sourced from PubChem (CID 116538385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).