2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine

C14H15F3N4 — CID 80939664

IUPAC2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4/c1-2-12-20-11(18)7-13(21-12)19-8-9-4-3-5-10(6-9)14(15,16)17/h3-7H,2,8H2,1H3,(H3,18,19,20,21)
InChIKeyHNWYLVDNAJCDIA-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.25
Rot. Bonds4

About 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine

2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine (PubChem CID 80939664) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
PubChem CID80939664
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4/c1-2-12-20-11(18)7-13(21-12)19-8-9-4-3-5-10(6-9)14(15,16)17/h3-7H,2,8H2,1H3,(H3,18,19,20,21)
InChIKeyHNWYLVDNAJCDIA-UHFFFAOYSA-N
XLogP3.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
4-N-[(3-chloro-4-fluorophenyl)methyl]-2-ethylpyrimidine-4,6-diamine
CID 80934899
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
2-ethyl-4-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80940771
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
4-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771771
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 104925423
2-ethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935409
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine (CID 80939664) is 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine is CCc1nc(N)cc(NCc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
The InChIKey is HNWYLVDNAJCDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-2-12-20-11(18)7-13(21-12)19-8-9-4-3-5-10(6-9)14(15,16)17/h3-7H,2,8H2,1H3,(H3,18,19,20,21).
What are the key properties of 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine?
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80939664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).