6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine

C19H18ClF3N4 — CID 118568093

IUPAC6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine
SMILESNC1=NC(c2cccc(C(F)(F)F)c2)C=C(NCCc2ccc(Cl)cc2)N1
InChIInChI=1S/C19H18ClF3N4/c20-15-6-4-12(5-7-15)8-9-25-17-11-16(26-18(24)27-17)13-2-1-3-14(10-13)19(21,22)23/h1-7,10-11,16,25H,8-9H2,(H3,24,26,27)
InChIKeyQHKFIDKSWXZLIW-UHFFFAOYSA-N
MW394.83 g/mol
LogP3.99
Rot. Bonds5

About 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine

6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine (PubChem CID 118568093) has the molecular formula C19H18ClF3N4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine
PubChem CID118568093
Molecular FormulaC19H18ClF3N4
Molecular Weight394.83 g/mol
Exact Mass394.12
IUPAC Name6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine
SMILESNC1=NC(c2cccc(C(F)(F)F)c2)C=C(NCCc2ccc(Cl)cc2)N1
InChIInChI=1S/C19H18ClF3N4/c20-15-6-4-12(5-7-15)8-9-25-17-11-16(26-18(24)27-17)13-2-1-3-14(10-13)19(21,22)23/h1-7,10-11,16,25H,8-9H2,(H3,24,26,27)
InChIKeyQHKFIDKSWXZLIW-UHFFFAOYSA-N
XLogP3.99
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine?
The IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine (CID 118568093) is 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine is NC1=NC(c2cccc(C(F)(F)F)c2)C=C(NCCc2ccc(Cl)cc2)N1.
What is the InChIKey of 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine?
The InChIKey is QHKFIDKSWXZLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4/c20-15-6-4-12(5-7-15)8-9-25-17-11-16(26-18(24)27-17)13-2-1-3-14(10-13)19(21,22)23/h1-7,10-11,16,25H,8-9H2,(H3,24,26,27).
What are the key properties of 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine?
6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine has a molecular weight of 394.83 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-chlorophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-2,6-diamine is sourced from PubChem (CID 118568093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).