4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H15F3N4O — CID 114564325

IUPAC4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccco1)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H15F3N4O/c1-3-20(8-9-5-4-6-21-9)11-7-10(13(14,15)16)18-12(17-2)19-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyNCAIVZQFDJSZEZ-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.16
Rot. Bonds5

About 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564325) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564325
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccco1)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C13H15F3N4O/c1-3-20(8-9-5-4-6-21-9)11-7-10(13(14,15)16)18-12(17-2)19-11/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyNCAIVZQFDJSZEZ-UHFFFAOYSA-N
XLogP3.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
3-chloro-N-ethyl-N-(furan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001296
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 103192516
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
N-ethyl-N-(furan-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80896307
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796536
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62287774
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567378

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564325) is 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(Cc1ccco1)c1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is NCAIVZQFDJSZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-3-20(8-9-5-4-6-21-9)11-7-10(13(14,15)16)18-12(17-2)19-11/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 300.28 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).