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

C14H15F3N4 — CID 80771252

IUPAC2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4/c1-2-18-13-19-7-6-12(21-13)20-9-10-4-3-5-11(8-10)14(15,16)17/h3-8H,2,9H2,1H3,(H2,18,19,20,21)
InChIKeyDPVPYAIFABGAKU-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.54
Rot. Bonds5

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

2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 80771252) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID80771252
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H15F3N4/c1-2-18-13-19-7-6-12(21-13)20-9-10-4-3-5-11(8-10)14(15,16)17/h3-8H,2,9H2,1H3,(H2,18,19,20,21)
InChIKeyDPVPYAIFABGAKU-UHFFFAOYSA-N
XLogP3.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 134698233
1-[3-[4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086963
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 80939664
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80738081
2-N-ethyl-9-phenyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117093283
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312
4-N-(3-phenylpropyl)-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112899308
N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 59803892
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 80771252) is 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is CCNc1nccc(NCc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is DPVPYAIFABGAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-2-18-13-19-7-6-12(21-13)20-9-10-4-3-5-11(8-10)14(15,16)17/h3-8H,2,9H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80771252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).