2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine

C12H17F2N3O — CID 126954258

IUPAC2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(OC2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H17F2N3O/c1-17(2)10-5-8-15-11(16-10)18-9-3-6-12(13,14)7-4-9/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyWURNKNZOKSPPQQ-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.50
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine

2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine (PubChem CID 126954258) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine
PubChem CID126954258
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1ccnc(OC2CCC(F)(F)CC2)n1
InChIInChI=1S/C12H17F2N3O/c1-17(2)10-5-8-15-11(16-10)18-9-3-6-12(13,14)7-4-9/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyWURNKNZOKSPPQQ-UHFFFAOYSA-N
XLogP2.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine (CID 126954258) is 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine is CN(C)c1ccnc(OC2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine?
The InChIKey is WURNKNZOKSPPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-17(2)10-5-8-15-11(16-10)18-9-3-6-12(13,14)7-4-9/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine?
2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine has a molecular weight of 257.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)oxy-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 126954258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).