N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine

C12H17F2N3 — CID 141374951

IUPACN-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(F)(F)CC2)c1C
InChIInChI=1S/C12H17F2N3/c1-8-9(2)15-7-16-11(8)17-10-3-5-12(13,14)6-4-10/h7,10H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyDURWERXBODSXDF-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.08
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine (PubChem CID 141374951) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
PubChem CID141374951
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCC(F)(F)CC2)c1C
InChIInChI=1S/C12H17F2N3/c1-8-9(2)15-7-16-11(8)17-10-3-5-12(13,14)6-4-10/h7,10H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyDURWERXBODSXDF-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine (CID 141374951) is N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine is Cc1ncnc(NC2CCC(F)(F)CC2)c1C.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine?
The InChIKey is DURWERXBODSXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-8-9(2)15-7-16-11(8)17-10-3-5-12(13,14)6-4-10/h7,10H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine has a molecular weight of 241.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 141374951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).