2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C15H17F4N5O2 — CID 123993741

IUPAC2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1nc(C2=CCC(O)N=C2)ncc1F)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H17F4N5O2/c1-14(2,13(26)22-7-15(17,18)19)24-12-9(16)6-21-11(23-12)8-3-4-10(25)20-5-8/h3,5-6,10,25H,4,7H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyHPJGHKIGGIQKPE-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.66
Rot. Bonds5

About 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 123993741) has the molecular formula C15H17F4N5O2 and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID123993741
Molecular FormulaC15H17F4N5O2
Molecular Weight375.33 g/mol
Exact Mass375.13
IUPAC Name2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1nc(C2=CCC(O)N=C2)ncc1F)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H17F4N5O2/c1-14(2,13(26)22-7-15(17,18)19)24-12-9(16)6-21-11(23-12)8-3-4-10(25)20-5-8/h3,5-6,10,25H,4,7H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeyHPJGHKIGGIQKPE-UHFFFAOYSA-N
XLogP1.66
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 123993741) is 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(Nc1nc(C2=CCC(O)N=C2)ncc1F)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HPJGHKIGGIQKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N5O2/c1-14(2,13(26)22-7-15(17,18)19)24-12-9(16)6-21-11(23-12)8-3-4-10(25)20-5-8/h3,5-6,10,25H,4,7H2,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 375.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(2-hydroxy-2,3-dihydropyridin-5-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 123993741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).