5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one

C11H14ClF2N3O — CID 114224997

IUPAC5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C11H14ClF2N3O/c12-9-8(15)10(18)17(6-16-9)5-7-2-1-3-11(13,14)4-7/h6-7H,1-5,15H2
InChIKeyQQFFRWYIEDWRFZ-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.30
Rot. Bonds2

About 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one

5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one (PubChem CID 114224997) has the molecular formula C11H14ClF2N3O and a molecular weight of 277.70 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one
PubChem CID114224997
Molecular FormulaC11H14ClF2N3O
Molecular Weight277.70 g/mol
Exact Mass277.08
IUPAC Name5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCCC(F)(F)C2)c1=O
InChIInChI=1S/C11H14ClF2N3O/c12-9-8(15)10(18)17(6-16-9)5-7-2-1-3-11(13,14)4-7/h6-7H,1-5,15H2
InChIKeyQQFFRWYIEDWRFZ-UHFFFAOYSA-N
XLogP2.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582470
5-Amino-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582514
5-Amino-6-chloro-3-(3,5-dimethylcyclohexyl)pyrimidin-4-one
CID 114582565
5-Amino-6-chloro-3-(cyclopentylmethyl)pyrimidin-4-one
CID 114582598
5-Amino-6-chloro-3-(3-methylcyclohexyl)pyrimidin-4-one
CID 114582670
5-Amino-6-chloro-3-(2-ethylhexyl)pyrimidin-4-one
CID 114582685
5-Amino-6-chloro-3-(4-methylcyclohexyl)pyrimidin-4-one
CID 114582731
5-Amino-6-chloro-3-(3-ethylcyclohexyl)pyrimidin-4-one
CID 114582732
5-Amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one (CID 114224997) is 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one is Nc1c(Cl)ncn(CC2CCCC(F)(F)C2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one?
The InChIKey is QQFFRWYIEDWRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O/c12-9-8(15)10(18)17(6-16-9)5-7-2-1-3-11(13,14)4-7/h6-7H,1-5,15H2.
What are the key properties of 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one has a molecular weight of 277.70 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114224997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).