6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine

C7H7ClF3N3 — CID 46738254

IUPAC6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11/h3H,1-2H3
InChIKeyRCRUAWWNTTTYOS-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.21
Rot. Bonds1

About 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 46738254) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID46738254
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C7H7ClF3N3/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11/h3H,1-2H3
InChIKeyRCRUAWWNTTTYOS-UHFFFAOYSA-N
XLogP2.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 46738254) is 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RCRUAWWNTTTYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-14(2)5-3-4(8)12-6(13-5)7(9,10)11/h3H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 225.60 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 46738254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).