5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C13H17F3N4O — CID 62160511

IUPAC5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C13H17F3N4O/c1-7(2)11-18-5-9(17)10(19-11)12(21)20(8-3-4-8)6-13(14,15)16/h5,7-8H,3-4,6,17H2,1-2H3
InChIKeyXUNGKWHGDKRMRN-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.35
Rot. Bonds4

About 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62160511) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62160511
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C13H17F3N4O/c1-7(2)11-18-5-9(17)10(19-11)12(21)20(8-3-4-8)6-13(14,15)16/h5,7-8H,3-4,6,17H2,1-2H3
InChIKeyXUNGKWHGDKRMRN-UHFFFAOYSA-N
XLogP2.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62160511) is 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is XUNGKWHGDKRMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-7(2)11-18-5-9(17)10(19-11)12(21)20(8-3-4-8)6-13(14,15)16/h5,7-8H,3-4,6,17H2,1-2H3.
What are the key properties of 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62160511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).