4-chloro-6-(trifluoromethyl)pyrimidin-2-amine

C5H3ClF3N3 — CID 13086907

IUPAC4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
InChIKeyZLIUVGFJXHOHLN-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine

4-chloro-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 13086907) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID13086907
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
InChIKeyZLIUVGFJXHOHLN-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82192734
2-chloro-4-methyl-6-(trifluoromethyl)pyridine;ethane
CID 145468613
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566082
2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine
CID 91620563
4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563284
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698509
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
4-(2,3,4,5,6-pentadeuteriophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 165345967
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine (CID 13086907) is 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZLIUVGFJXHOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12).
What are the key properties of 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine?
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 197.55 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 13086907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).