6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine

C8H6Cl2F3N3 — CID 106195536

IUPAC6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC=C(Cl)CNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6Cl2F3N3/c1-4(9)3-14-6-2-5(10)15-7(16-6)8(11,12)13/h2H,1,3H2,(H,14,15,16)
InChIKeyAOHUMFSSTRQXOA-UHFFFAOYSA-N
MW272.06 g/mol
LogP3.31
Rot. Bonds3

About 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106195536) has the molecular formula C8H6Cl2F3N3 and a molecular weight of 272.06 g/mol. Its IUPAC name is 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106195536
Molecular FormulaC8H6Cl2F3N3
Molecular Weight272.06 g/mol
Exact Mass270.99
IUPAC Name6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESC=C(Cl)CNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H6Cl2F3N3/c1-4(9)3-14-6-2-5(10)15-7(16-6)8(11,12)13/h2H,1,3H2,(H,14,15,16)
InChIKeyAOHUMFSSTRQXOA-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.06
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)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

2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 106767206
6-chloro-N-[2-(2-methylpropoxy)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768428
2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311254
6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768408
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
6-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 114184724
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341663
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106193155
3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106102714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106195536) is 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine is C=C(Cl)CNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AOHUMFSSTRQXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N3/c1-4(9)3-14-6-2-5(10)15-7(16-6)8(11,12)13/h2H,1,3H2,(H,14,15,16).
What are the key properties of 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 272.06 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106195536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).