2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide

C17H21FN4O — CID 50950662

IUPAC2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCCc1cnc(C)nc1NC(C)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C17H21FN4O/c1-5-13-9-19-12(4)21-16(13)20-11(3)17(23)22-15-8-14(18)7-6-10(15)2/h6-9,11H,5H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyOWJRQBHFFHUOIZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.23
Rot. Bonds5

About 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide

2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 50950662) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID50950662
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCCc1cnc(C)nc1NC(C)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C17H21FN4O/c1-5-13-9-19-12(4)21-16(13)20-11(3)17(23)22-15-8-14(18)7-6-10(15)2/h6-9,11H,5H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyOWJRQBHFFHUOIZ-UHFFFAOYSA-N
XLogP3.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ff-10101
CID 90052320
Prt-060318
CID 11493841
C-1368
CID 9549303
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 27
CID 5330354
Syk Inhibitor II
CID 9549296
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyrimidin-2-yl)phenyl]ethyl]amino}pentanamide
CID 10216231
(3s)-1-{(2s)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)amino]acetyl}-3-Methyl-N-(2-Pyrimidin-2-Ylphenyl)-L-Prolinamide
CID 42609700
(7s)-7-Amino-N-[(4-Fluorophenyl)methyl]-8-Oxo-2,9,16,18,21-Pentaazabicyclo[15.3.1]henicosa-1(21),17,19-Triene-20-Carboxamide
CID 74538669
4-[4-[(4,4-Dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587344
4-[4-[(4,4-Dimethylpiperidin-1-yl)methyl]-3-fluorophenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587345
N-(4-{5-[4-(butanoylamino)phenyl]pyrimidin-2-yl}phenyl)butanamide
CID 1272696

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide (CID 50950662) is 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide is CCc1cnc(C)nc1NC(C)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is OWJRQBHFFHUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-5-13-9-19-12(4)21-16(13)20-11(3)17(23)22-15-8-14(18)7-6-10(15)2/h6-9,11H,5H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide?
2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 316.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 50950662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).