N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide

C9H10F3N3O — CID 160505446

IUPACN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide
SMILESCC(C)(NC(=O)c1ncccn1)C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-8(2,9(10,11)12)15-7(16)6-13-4-3-5-14-6/h3-5H,1-2H3,(H,15,16)
InChIKeyQSIINTNUWOEQSJ-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.55
Rot. Bonds2

About N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide

N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide (PubChem CID 160505446) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide
PubChem CID160505446
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide
SMILESCC(C)(NC(=O)c1ncccn1)C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-8(2,9(10,11)12)15-7(16)6-13-4-3-5-14-6/h3-5H,1-2H3,(H,15,16)
InChIKeyQSIINTNUWOEQSJ-UHFFFAOYSA-N
XLogP1.55
TPSA54.88 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
The IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide (CID 160505446) is N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide is CC(C)(NC(=O)c1ncccn1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
The InChIKey is QSIINTNUWOEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-8(2,9(10,11)12)15-7(16)6-13-4-3-5-14-6/h3-5H,1-2H3,(H,15,16).
What are the key properties of N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide?
N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 160505446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).