2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine

C7H7ClF3N3 — CID 23027742

IUPAC2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-14(2)5-4(7(9,10)11)3-12-6(8)13-5/h3H,1-2H3
InChIKeySLLBUTOCEBHPPV-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.21
Rot. Bonds1

About 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 23027742) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID23027742
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-14(2)5-4(7(9,10)11)3-12-6(8)13-5/h3H,1-2H3
InChIKeySLLBUTOCEBHPPV-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 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 23027742) is 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SLLBUTOCEBHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-14(2)5-4(7(9,10)11)3-12-6(8)13-5/h3H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N,N-dimethyl-5-(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 2-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 23027742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).