2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one

C12H17F2N3O — CID 114217064

IUPAC2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(C2CCC(F)(F)C2)[nH]c1=O
InChIInChI=1S/C12H17F2N3O/c1-2-15-6-9-7-16-10(17-11(9)18)8-3-4-12(13,14)5-8/h7-8,15H,2-6H2,1H3,(H,16,17,18)
InChIKeyRVYIEFZUVZGQII-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.78
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one

2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114217064) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114217064
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one
SMILESCCNCc1cnc(C2CCC(F)(F)C2)[nH]c1=O
InChIInChI=1S/C12H17F2N3O/c1-2-15-6-9-7-16-10(17-11(9)18)8-3-4-12(13,14)5-8/h7-8,15H,2-6H2,1H3,(H,16,17,18)
InChIKeyRVYIEFZUVZGQII-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
5-[(propan-2-ylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206307
5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
CID 114216766
5-(aminomethyl)-2-cyclopentyl-1H-pyrimidin-6-one
CID 82505089
5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one
CID 82507340
5-(methylaminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 84114363
2-cyclopentyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84120060
2-cyclopentyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 84130399
2-cyclohexyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84130400
2-(azepan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 84675419
5-methyl-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 84675423

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one (CID 114217064) is 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one is CCNCc1cnc(C2CCC(F)(F)C2)[nH]c1=O.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is RVYIEFZUVZGQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-2-15-6-9-7-16-10(17-11(9)18)8-3-4-12(13,14)5-8/h7-8,15H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one?
2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 257.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114217064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).