cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine

C13H20F3N5 — CID 23026786

IUPAC2-N-(4-aminocyclohexyl)-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)C1=NC(=NC=C1C(F)(F)F)NC2CCC(CC2)N
InChIInChI=1S/C13H20F3N5/c1-21(2)11-10(13(14,15)16)7-18-12(20-11)19-9-5-3-8(17)4-6-9/h7-9H,3-6,17H2,1-2H3,(H,18,19,20)
InChIKeyMXWMBQRRHFEQOU-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.30
Rot. Bonds3

About cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine

cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine (PubChem CID 23026786) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Namecis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine
PubChem CID23026786
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name2-N-(4-aminocyclohexyl)-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)C1=NC(=NC=C1C(F)(F)F)NC2CCC(CC2)N
InChIInChI=1S/C13H20F3N5/c1-21(2)11-10(13(14,15)16)7-18-12(20-11)19-9-5-3-8(17)4-6-9/h7-9H,3-6,17H2,1-2H3,(H,18,19,20)
InChIKeyMXWMBQRRHFEQOU-UHFFFAOYSA-N
XLogP2.30
TPSA67.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity328

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
4-Amino-2-cyclohexylamino-5-pyrimidinecarbonitrile
CID 4163635
4-N-(4-aminocyclohexyl)pyrimidine-2,4-diamine
CID 49857008
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
N~2~-(2-azepan-1-ylethyl)-N~4~,N~4~,5-trimethylpyrimidine-2,4-diamine
CID 50979317
2-N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-fluoro-4-N-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
4-N,4-N,5-trimethyl-2-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-2,4-diamine
CID 125518351

Frequently Asked Questions

What is the IUPAC name of cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine?
The IUPAC name of cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine (CID 23026786) is 2-N-(4-aminocyclohexyl)-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine?
The canonical SMILES for cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine is CN(C)C1=NC(=NC=C1C(F)(F)F)NC2CCC(CC2)N.
What is the InChIKey of cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine?
The InChIKey is MXWMBQRRHFEQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-21(2)11-10(13(14,15)16)7-18-12(20-11)19-9-5-3-8(17)4-6-9/h7-9H,3-6,17H2,1-2H3,(H,18,19,20).
What are the key properties of cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine?
cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine has a molecular weight of 303.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine is sourced from PubChem (CID 23026786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).