2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C9H10F3N3O — CID 91239403

IUPAC2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O/c1-4(2)8-14-5(7(13)16)3-6(15-8)9(10,11)12/h3-4H,1-2H3,(H2,13,16)
InChIKeyKPSFLFRFNIWWEP-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.72
Rot. Bonds2

About 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 91239403) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID91239403
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1nc(C(N)=O)cc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O/c1-4(2)8-14-5(7(13)16)3-6(15-8)9(10,11)12/h3-4H,1-2H3,(H2,13,16)
InChIKeyKPSFLFRFNIWWEP-UHFFFAOYSA-N
XLogP1.72
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 91239403) is 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is CC(C)c1nc(C(N)=O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is KPSFLFRFNIWWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-4(2)8-14-5(7(13)16)3-6(15-8)9(10,11)12/h3-4H,1-2H3,(H2,13,16).
What are the key properties of 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91239403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).