4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine

C12H16F2N4 — CID 114216720

IUPAC4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CC2)nc(C2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H16F2N4/c13-12(14)5-1-2-8(6-12)10-16-9(7-3-4-7)17-11(15)18-10/h7-8H,1-6H2,(H2,15,16,17,18)
InChIKeyQOHRIKRJQIAILX-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.62
Rot. Bonds2

About 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 114216720) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine
PubChem CID114216720
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine
SMILESNc1nc(C2CC2)nc(C2CCCC(F)(F)C2)n1
InChIInChI=1S/C12H16F2N4/c13-12(14)5-1-2-8(6-12)10-16-9(7-3-4-7)17-11(15)18-10/h7-8H,1-6H2,(H2,15,16,17,18)
InChIKeyQOHRIKRJQIAILX-UHFFFAOYSA-N
XLogP2.62
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-cyclohexyl-1,3,5-triazin-2-amine
CID 66520693
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
6-[4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentyl]-1,3,5-triazine-2,4-diamine
CID 139685065
6-(2,2-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 151228038
6-[[1-(Trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156220317
6-(3,3-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 175495116
4-Cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55252118
4-Cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867458
4-Cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-Cyclopentyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868491
4-Cyclopropyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964614

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine (CID 114216720) is 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine is Nc1nc(C2CC2)nc(C2CCCC(F)(F)C2)n1.
What is the InChIKey of 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is QOHRIKRJQIAILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c13-12(14)5-1-2-8(6-12)10-16-9(7-3-4-7)17-11(15)18-10/h7-8H,1-6H2,(H2,15,16,17,18).
What are the key properties of 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 254.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(3,3-difluorocyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114216720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).