2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C15H17F3N6O2 — CID 59374444

IUPAC2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1ccnc(-c2c[nH]c(=O)c(N)c2)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H17F3N6O2/c1-14(2,13(26)22-7-15(16,17)18)24-10-3-4-20-11(23-10)8-5-9(19)12(25)21-6-8/h3-6H,7,19H2,1-2H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyZAGUVBFHTNTMHH-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.28
Rot. Bonds5

About 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 59374444) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID59374444
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC Name2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1ccnc(-c2c[nH]c(=O)c(N)c2)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H17F3N6O2/c1-14(2,13(26)22-7-15(16,17)18)24-10-3-4-20-11(23-10)8-5-9(19)12(25)21-6-8/h3-6H,7,19H2,1-2H3,(H,21,25)(H,22,26)(H,20,23,24)
InChIKeyZAGUVBFHTNTMHH-UHFFFAOYSA-N
XLogP1.28
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 59374444) is 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(Nc1ccnc(-c2c[nH]c(=O)c(N)c2)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZAGUVBFHTNTMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-14(2,13(26)22-7-15(16,17)18)24-10-3-4-20-11(23-10)8-5-9(19)12(25)21-6-8/h3-6H,7,19H2,1-2H3,(H,21,25)(H,22,26)(H,20,23,24).
What are the key properties of 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 370.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-amino-6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 59374444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).