2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide

C10H12ClF3N4O — CID 106346854

IUPAC2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cc(C(F)(F)F)nc(Cl)n1)C(N)=O
InChIInChI=1S/C10H12ClF3N4O/c1-4(2)7(8(15)19)17-6-3-5(10(12,13)14)16-9(11)18-6/h3-4,7H,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyDEOPJXDRPLAHEI-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.07
Rot. Bonds4

About 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide

2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106346854) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106346854
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cc(C(F)(F)F)nc(Cl)n1)C(N)=O
InChIInChI=1S/C10H12ClF3N4O/c1-4(2)7(8(15)19)17-6-3-5(10(12,13)14)16-9(11)18-6/h3-4,7H,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyDEOPJXDRPLAHEI-UHFFFAOYSA-N
XLogP2.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (CID 106346854) is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide is CC(C)C(Nc1cc(C(F)(F)F)nc(Cl)n1)C(N)=O.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is DEOPJXDRPLAHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-4(2)7(8(15)19)17-6-3-5(10(12,13)14)16-9(11)18-6/h3-4,7H,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 296.68 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106346854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).