4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H17F3N4 — CID 107403126

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CC1CCC1)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H17F3N4/c1-2-19(7-8-4-3-5-8)10-6-9(12(13,14)15)17-11(16)18-10/h6,8H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyDMIMQDYXKRBWPM-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.70
Rot. Bonds4

About 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 107403126) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID107403126
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(CC1CCC1)c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H17F3N4/c1-2-19(7-8-4-3-5-8)10-6-9(12(13,14)15)17-11(16)18-10/h6,8H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyDMIMQDYXKRBWPM-UHFFFAOYSA-N
XLogP2.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 107403230
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875611
4-N-cyclopropyl-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564619
6-N-(cyclobutylmethyl)-6-N-ethylpyridine-2,6-diamine
CID 107402993
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566515
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565084
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564622
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 107403126) is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(CC1CCC1)c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DMIMQDYXKRBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-19(7-8-4-3-5-8)10-6-9(12(13,14)15)17-11(16)18-10/h6,8H,2-5,7H2,1H3,(H2,16,17,18).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 274.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107403126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).