2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C13H19F3N4 — CID 91516370

IUPAC2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NC2CCCCC2)ncc1C(F)(F)F
InChIInChI=1S/C13H19F3N4/c1-20(2)11-10(13(14,15)16)8-17-12(19-11)18-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyHPWUKYSCWNVNRW-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.31
Rot. Bonds3

About 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 91516370) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID91516370
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NC2CCCCC2)ncc1C(F)(F)F
InChIInChI=1S/C13H19F3N4/c1-20(2)11-10(13(14,15)16)8-17-12(19-11)18-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyHPWUKYSCWNVNRW-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
4-Amino-2-cyclohexylamino-5-pyrimidinecarbonitrile
CID 4163635
US10266549, Example 168c
CID 118908038
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
N2,N4-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908048
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 50959945
N~2~-(2-azepan-1-ylethyl)-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine
CID 50979317
2-N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
N~2~-(2-azepan-1-yl-1,1-dimethylethyl)-5-fluoro-N~4~-methylpyrimidine-2,4-diamine
CID 124214243
2-N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 125439178
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 125443539

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 91516370) is 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CN(C)c1nc(NC2CCCCC2)ncc1C(F)(F)F.
What is the InChIKey of 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HPWUKYSCWNVNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-20(2)11-10(13(14,15)16)8-17-12(19-11)18-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 91516370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).