2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one

C10H12F2N2O — CID 177192130

IUPAC2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc([C@H]2CCCC(F)(F)C2)[nH]1
InChIInChI=1S/C10H12F2N2O/c11-10(12)4-1-2-7(6-10)9-13-5-3-8(15)14-9/h3,5,7H,1-2,4,6H2,(H,13,14,15)/t7-/m0/s1
InChIKeyQWNWVHGPIZHPRL-ZETCQYMHSA-N
MW214.21 g/mol
LogP2.06
Rot. Bonds1

About 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one

2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one (PubChem CID 177192130) has the molecular formula C10H12F2N2O and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one
PubChem CID177192130
Molecular FormulaC10H12F2N2O
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc([C@H]2CCCC(F)(F)C2)[nH]1
InChIInChI=1S/C10H12F2N2O/c11-10(12)4-1-2-7(6-10)9-13-5-3-8(15)14-9/h3,5,7H,1-2,4,6H2,(H,13,14,15)/t7-/m0/s1
InChIKeyQWNWVHGPIZHPRL-ZETCQYMHSA-N
XLogP2.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopentylpyrimidin-4-ol
CID 45787582
2-(Rac-(1r,4r)-4-aminocyclohexyl)pyrimidin-4-ol dihydrochloride
CID 132342279
2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
2-(1-fluorocyclopentyl)-1H-pyrimidin-6-one
CID 69299960
2-[(1r,4r)-4-Aminocyclohexyl]pyrimidin-4-ol
CID 82469023
2-(3,3-difluorocyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 114216764
5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
CID 114216766
2-(3,3-difluorocyclopentyl)-1H-pyrimidin-6-one
CID 133624759
4-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
CID 137004309
5-amino-2-cyclohexyl-1H-pyrimidin-6-one
CID 20276704
2-(Cyclobutylmethyl)pyrimidin-4-ol
CID 67513421
2-(cyclohexylmethyl)-1H-pyrimidin-6-one
CID 126997626

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one (CID 177192130) is 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one is O=c1ccnc([C@H]2CCCC(F)(F)C2)[nH]1.
What is the InChIKey of 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one?
The InChIKey is QWNWVHGPIZHPRL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-10(12)4-1-2-7(6-10)9-13-5-3-8(15)14-9/h3,5,7H,1-2,4,6H2,(H,13,14,15)/t7-/m0/s1.
What are the key properties of 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one?
2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one has a molecular weight of 214.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 177192130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).