4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C14H15F3N4 — CID 106771303

IUPAC4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C(C)Nc2cc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N4/c1-8-3-5-10(6-4-8)9(2)19-12-7-11(18)20-13(21-12)14(15,16)17/h3-7,9H,1-2H3,(H3,18,19,20,21)
InChIKeySQEYFASOHVPXOW-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.56
Rot. Bonds3

About 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771303) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771303
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(C(C)Nc2cc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N4/c1-8-3-5-10(6-4-8)9(2)19-12-7-11(18)20-13(21-12)14(15,16)17/h3-7,9H,1-2H3,(H3,18,19,20,21)
InChIKeySQEYFASOHVPXOW-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
4-N-[1-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80802316
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
2-N-[1-(4-methylphenyl)ethyl]pyrazine-2,5-diamine
CID 80652605
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-phenylethanol
CID 106771905
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
4-N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770784
4-N-(4-methylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770552
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 114157114
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 106773392
1-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 106773118

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771303) is 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is Cc1ccc(C(C)Nc2cc(N)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is SQEYFASOHVPXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-8-3-5-10(6-4-8)9(2)19-12-7-11(18)20-13(21-12)14(15,16)17/h3-7,9H,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-methylphenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).