2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine

C21H25F6N7 — CID 144770960

IUPAC2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3nccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C21H25F6N7/c1-19(22)7-2-12(3-8-19)29-17-32-16(15-28-11-6-14(31-15)21(25,26)27)33-18(34-17)30-13-4-9-20(23,24)10-5-13/h6,11-13H,2-5,7-10H2,1H3,(H2,29,30,32,33,34)
InChIKeyNBXNQTLMFYUGQJ-UHFFFAOYSA-N
MW489.47 g/mol
LogP5.42
Rot. Bonds5

About 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine

2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 144770960) has the molecular formula C21H25F6N7 and a molecular weight of 489.47 g/mol. Its IUPAC name is 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID144770960
Molecular FormulaC21H25F6N7
Molecular Weight489.47 g/mol
Exact Mass489.21
IUPAC Name2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3nccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C21H25F6N7/c1-19(22)7-2-12(3-8-19)29-17-32-16(15-28-11-6-14(31-15)21(25,26)27)33-18(34-17)30-13-4-9-20(23,24)10-5-13/h6,11-13H,2-5,7-10H2,1H3,(H2,29,30,32,33,34)
InChIKeyNBXNQTLMFYUGQJ-UHFFFAOYSA-N
XLogP5.42
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.47
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-(3-methyl-6H-1,2,4-thiadiazin-5-yl)-1,3,5-triazine-2,4-diamine
CID 146258844
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 84583285
ethane;3-fluoro-5-[[4-[(4-fluoro-4-methylcyclohexyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]benzonitrile;molecular hydrogen
CID 144771018
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1-fluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123824132
methyl 4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylate
CID 115616833
N-(1,1-dioxothian-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584316
N-(1-oxothian-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 104576530
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 122449456
6-(6-chloro-2-pyridinyl)-4-N-(4,4-difluorocyclohexyl)-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 122440806
N-[3-[[4-[(4,4-difluorocyclohexyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propyl]-N-propylmethanesulfonamide
CID 155016835
N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64923601

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine (CID 144770960) is 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine is CC1(F)CCC(Nc2nc(NC3CCC(F)(F)CC3)nc(-c3nccc(C(F)(F)F)n3)n2)CC1.
What is the InChIKey of 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NBXNQTLMFYUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F6N7/c1-19(22)7-2-12(3-8-19)29-17-32-16(15-28-11-6-14(31-15)21(25,26)27)33-18(34-17)30-13-4-9-20(23,24)10-5-13/h6,11-13H,2-5,7-10H2,1H3,(H2,29,30,32,33,34).
What are the key properties of 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?
2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 489.47 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-difluorocyclohexyl)-4-N-(4-fluoro-4-methylcyclohexyl)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 144770960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).