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

C15H16F3N5O2 — CID 59374455

IUPAC2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H16F3N5O2/c1-14(2,13(25)21-8-15(16,17)18)23-10-5-6-19-12(22-10)9-3-4-11(24)20-7-9/h3-7H,8H2,1-2H3,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyJGUUMMVFAZXYOF-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.70
Rot. Bonds5

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

2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 59374455) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID59374455
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H16F3N5O2/c1-14(2,13(25)21-8-15(16,17)18)23-10-5-6-19-12(22-10)9-3-4-11(24)20-7-9/h3-7H,8H2,1-2H3,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyJGUUMMVFAZXYOF-UHFFFAOYSA-N
XLogP1.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dihydro-3,3,8-trimethyl-6-(4-pyrimidinylamino)imidazo[1,5-a]pyridine-1,5-dione
CID 118598955
1,6-Dihydro-6-oxo-5-(4-pyrimidinylamino)-2-pyridinecarboxamide
CID 137631507
US9669031, 14 3-methyl-6-(pyrimidin-4-ylamino)-3-(trifluoromethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 14)
CID 118598584
US9669031, 7 3-methyl-6-(pyrimidin-4-ylamino)-3-(2,2,2-trifluoroethyl)-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 7)
CID 118598991
US9669031, 192 8-chloro-3-methyl-3-(2-methylprop-1-enyl)-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione (Cpd. No. 192)
CID 118598692
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-pyrimidin-2-ylacetamide
CID 2462904
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491854
1-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 53583781
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 72049114
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(pyrimidin-2-ylamino)butanamide
CID 72050212
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 72050226
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 72059976

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 59374455) is 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(Nc1ccnc(-c2ccc(=O)[nH]c2)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JGUUMMVFAZXYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-14(2,13(25)21-8-15(16,17)18)23-10-5-6-19-12(22-10)9-3-4-11(24)20-7-9/h3-7H,8H2,1-2H3,(H,20,24)(H,21,25)(H,19,22,23).
What are the key properties of 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 355.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 59374455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).