6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C14H13ClF3N3 — CID 80938818

IUPAC6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H13ClF3N3/c1-2-12-20-11(15)7-13(21-12)19-8-9-3-5-10(6-4-9)14(16,17)18/h3-7H,2,8H2,1H3,(H,19,20,21)
InChIKeyWACAKAIDERYFTP-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.32
Rot. Bonds4

About 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 80938818) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID80938818
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H13ClF3N3/c1-2-12-20-11(15)7-13(21-12)19-8-9-3-5-10(6-4-9)14(16,17)18/h3-7H,2,8H2,1H3,(H,19,20,21)
InChIKeyWACAKAIDERYFTP-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine 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

N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
6-chloro-2-ethyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 106193475
6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193521
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 80939664
6-N-[(4-chlorophenyl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717237
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
CID 80939443

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 80938818) is 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is CCc1nc(Cl)cc(NCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is WACAKAIDERYFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-2-12-20-11(15)7-13(21-12)19-8-9-3-5-10(6-4-9)14(16,17)18/h3-7H,2,8H2,1H3,(H,19,20,21).
What are the key properties of 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 315.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 80938818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).