2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide

C10H12ClF3N4O — CID 114562271

IUPAC2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H12ClF3N4O/c1-2-3-15-8(19)5-16-7-4-6(10(12,13)14)17-9(11)18-7/h4H,2-3,5H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyUSWKSTGCHCNCNI-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.09
Rot. Bonds5

About 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide

2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide (PubChem CID 114562271) 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]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide
PubChem CID114562271
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H12ClF3N4O/c1-2-3-15-8(19)5-16-7-4-6(10(12,13)14)17-9(11)18-7/h4H,2-3,5H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyUSWKSTGCHCNCNI-UHFFFAOYSA-N
XLogP2.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.09
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]-N-propylacetamide?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide (CID 114562271) is 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide is CCCNC(=O)CNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide?
The InChIKey is USWKSTGCHCNCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-2-3-15-8(19)5-16-7-4-6(10(12,13)14)17-9(11)18-7/h4H,2-3,5H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide?
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide has a molecular weight of 296.68 g/mol, XLogP of 2.09, 5 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]-N-propylacetamide is sourced from PubChem (CID 114562271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).