N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide

C17H21FN4O3 — CID 69400604

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide
SMILESCC1=C2NCC(O)C(=O)N2C(C(=O)NCc2ccc(F)cc2)CN1C
InChIInChI=1S/C17H21FN4O3/c1-10-15-19-8-14(23)17(25)22(15)13(9-21(10)2)16(24)20-7-11-3-5-12(18)6-4-11/h3-6,13-14,19,23H,7-9H2,1-2H3,(H,20,24)
InChIKeyGKEUOBDQWHXRDJ-UHFFFAOYSA-N
MW348.38 g/mol
LogP-0.26
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide (PubChem CID 69400604) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide
PubChem CID69400604
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide
SMILESCC1=C2NCC(O)C(=O)N2C(C(=O)NCc2ccc(F)cc2)CN1C
InChIInChI=1S/C17H21FN4O3/c1-10-15-19-8-14(23)17(25)22(15)13(9-21(10)2)16(24)20-7-11-3-5-12(18)6-4-11/h3-6,13-14,19,23H,7-9H2,1-2H3,(H,20,24)
InChIKeyGKEUOBDQWHXRDJ-UHFFFAOYSA-N
XLogP-0.26
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

3-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 145986720
2-(4-amino-5-morpholin-4-yl-2,6-dioxo-3-propylpyrimidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4784499
1-(2-hydroxypropyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 397739
7-[3-(Dibutylamino)propyl]-2-[(4-fluorophenyl)methyl]-9-hydroxy-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54683920
6-[(4-fluorophenyl)methyl]-4-hydroxy-N-isopropyl-3,5-dioxo-7,8-dihydro-2H-2,6-naphthyridine-1-carboxamide
CID 54692266
2-[7-cyclopentyl-2-[(4-fluorophenyl)methyl]-9-hydroxy-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-3-yl]-N,N-dimethyl-acetamide
CID 54692277
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-isopropyl-4-[2-[methoxy(methyl)amino]ethyl]-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54692278
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-(morpholin-3-ylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54692286
2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-(2-methoxy-1-methyl-ethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,6,8-trione
CID 54692309
N-[2-[2-[(4-fluorophenyl)methyl]-9-hydroxy-7-isopropyl-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-4-yl]ethyl]-N-methyl-acetamide
CID 54692316
1-[2-[2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-isopropyl-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-4-yl]ethyl]-3-isopropyl-1-methyl-thiourea
CID 54692317
1-[2-[2-[(4-Fluorophenyl)methyl]-9-hydroxy-7-isopropyl-1,6,8-trioxo-3,4-dihydropyrazino[1,2-c]pyrimidin-4-yl]ethyl]-3-isopropyl-1-methyl-urea
CID 54692318

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide (CID 69400604) is N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide is CC1=C2NCC(O)C(=O)N2C(C(=O)NCc2ccc(F)cc2)CN1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is GKEUOBDQWHXRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-10-15-19-8-14(23)17(25)22(15)13(9-21(10)2)16(24)20-7-11-3-5-12(18)6-4-11/h3-6,13-14,19,23H,7-9H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 348.38 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-2,3,6,7-tetrahydro-1H-pyrazino[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 69400604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).