2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C13H17F3N4 — CID 118908038

IUPAC2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(NC2CCC2)nc1NC1CCC1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)10-7-17-12(19-9-5-2-6-9)20-11(10)18-8-3-1-4-8/h7-9H,1-6H2,(H2,17,18,19,20)
InChIKeyRANKMCGOEJGEJE-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.42
Rot. Bonds4

About 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118908038) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118908038
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(NC2CCC2)nc1NC1CCC1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)10-7-17-12(19-9-5-2-6-9)20-11(10)18-8-3-1-4-8/h7-9H,1-6H2,(H2,17,18,19,20)
InChIKeyRANKMCGOEJGEJE-UHFFFAOYSA-N
XLogP3.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
N2,N4-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908048
2-N-[(2S)-2-(dimethylamino)pentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 125523390
2-cyclopropyl-N-(3,3-difluorocyclobutyl)pyrimidin-4-amine
CID 126787185
5-[(2,2-Dimethylpropylamino)methyl]pyrimidine-2,4-diamine
CID 126823901
5-(Aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 53427125
5-(Trifluoromethyl)pyrimidine-2,4-diamine
CID 21695408
N'-[[2-(trifluoromethoxy)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 21697996
N'-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 21698137
N'-[[2-[bromo(difluoro)methyl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 21698213
2-Amino-4-(t-butylamino)-5-fluoropyrimidine
CID 22121290
cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine
CID 23026786

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118908038) is 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(NC2CCC2)nc1NC1CCC1.
What is the InChIKey of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RANKMCGOEJGEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)10-7-17-12(19-9-5-2-6-9)20-11(10)18-8-3-1-4-8/h7-9H,1-6H2,(H2,17,18,19,20).
What are the key properties of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118908038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).