5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide

C11H15F3N4O — CID 63227662

IUPAC5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-6(2)9-17-5-7(15)8(18-9)10(19)16-4-3-11(12,13)14/h5-6H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyGJEPFHDHXOYIDW-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.86
Rot. Bonds4

About 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide

5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide (PubChem CID 63227662) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
PubChem CID63227662
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-6(2)9-17-5-7(15)8(18-9)10(19)16-4-3-11(12,13)14/h5-6H,3-4,15H2,1-2H3,(H,16,19)
InChIKeyGJEPFHDHXOYIDW-UHFFFAOYSA-N
XLogP1.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide (CID 63227662) is 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCCC(F)(F)F)n1.
What is the InChIKey of 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
The InChIKey is GJEPFHDHXOYIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6(2)9-17-5-7(15)8(18-9)10(19)16-4-3-11(12,13)14/h5-6H,3-4,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide?
5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 63227662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).