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

C13H19F3N4O — CID 62161178

IUPAC5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C13H19F3N4O/c1-7(2)11-18-5-9(17)10(19-11)12(21)20(8(3)4)6-13(14,15)16/h5,7-8H,6,17H2,1-4H3
InChIKeyPKENZWVAIAHZCD-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.60
Rot. Bonds4

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

5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62161178) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62161178
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(CC(F)(F)F)C(C)C)n1
InChIInChI=1S/C13H19F3N4O/c1-7(2)11-18-5-9(17)10(19-11)12(21)20(8(3)4)6-13(14,15)16/h5,7-8H,6,17H2,1-4H3
InChIKeyPKENZWVAIAHZCD-UHFFFAOYSA-N
XLogP2.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62161178) is 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)N(CC(F)(F)F)C(C)C)n1.
What is the InChIKey of 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is PKENZWVAIAHZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-7(2)11-18-5-9(17)10(19-11)12(21)20(8(3)4)6-13(14,15)16/h5,7-8H,6,17H2,1-4H3.
What are the key properties of 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62161178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).