N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide

C21H27FN4O3 — CID 143421780

IUPACN-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCCCCC(C)CN1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C21H27FN4O3/c1-3-4-5-14(2)13-25-10-11-26-20(29)18(27)17(24-21(25)26)19(28)23-12-15-6-8-16(22)9-7-15/h6-9,14,27H,3-5,10-13H2,1-2H3,(H,23,28)
InChIKeyOTZVAGXRFRADAU-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.66
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide

N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 143421780) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID143421780
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC NameN-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESCCCCC(C)CN1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C21H27FN4O3/c1-3-4-5-14(2)13-25-10-11-26-20(29)18(27)17(24-21(25)26)19(28)23-12-15-6-8-16(22)9-7-15/h6-9,14,27H,3-5,10-13H2,1-2H3,(H,23,28)
InChIKeyOTZVAGXRFRADAU-UHFFFAOYSA-N
XLogP2.66
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680806
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680810
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9,9-dipropyl-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 143300519
N-[(4-fluoro-3-methylphenyl)methyl]-6-hydroxy-5-oxo-1-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680799
N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 54720034
N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide
CID 143150151
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684172
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-methylsulfonyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698279
9-amino-9-ethyl-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 66595225
N-[(4-fluorophenyl)methyl]-3-hydroxy-10,10-dimethyl-4-oxo-6,7,8,9-tetrahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 54684170
8-[2-(dimethylamino)-2-oxoacetyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-2-carboxamide
CID 54698311

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide (CID 143421780) is N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is CCCCC(C)CN1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is OTZVAGXRFRADAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-3-4-5-14(2)13-25-10-11-26-20(29)18(27)17(24-21(25)26)19(28)23-12-15-6-8-16(22)9-7-15/h6-9,14,27H,3-5,10-13H2,1-2H3,(H,23,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 143421780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).