N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide

C17H18FN5O4 — CID 143150151

IUPACN-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide
SMILESCCCN1Nc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CC1=O
InChIInChI=1S/C17H18FN5O4/c1-2-7-23-12(24)9-22-16(27)14(25)13(20-17(22)21-23)15(26)19-8-10-3-5-11(18)6-4-10/h3-6,25H,2,7-9H2,1H3,(H,19,26)(H,20,21)
InChIKeyWIYXKTDNRCHARL-UHFFFAOYSA-N
MW375.36 g/mol
LogP0.60
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide

N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide (PubChem CID 143150151) has the molecular formula C17H18FN5O4 and a molecular weight of 375.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide
PubChem CID143150151
Molecular FormulaC17H18FN5O4
Molecular Weight375.36 g/mol
Exact Mass375.13
IUPAC NameN-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide
SMILESCCCN1Nc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CC1=O
InChIInChI=1S/C17H18FN5O4/c1-2-7-23-12(24)9-22-16(27)14(25)13(20-17(22)21-23)15(26)19-8-10-3-5-11(18)6-4-10/h3-6,25H,2,7-9H2,1H3,(H,19,26)(H,20,21)
InChIKeyWIYXKTDNRCHARL-UHFFFAOYSA-N
XLogP0.60
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
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]-3-hydroxy-4-oxo-9,9-dipropyl-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 143300519
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-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-4-oxo-6,8-dihydropyrimido[2,1-d][1,2,5]thiadiazine-2-carboxamide
CID 91251624
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
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
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-(2-methylhexyl)-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 143421780
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[(2S)-3-methylpyrrolidin-2-yl]-6-oxopyrimidine-4-carboxamide
CID 54677635
2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54680245

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide?
The IUPAC name of 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) is N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide is CCCN1Nc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CC1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide?
The InChIKey is WIYXKTDNRCHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O4/c1-2-7-23-12(24)9-22-16(27)14(25)13(20-17(22)21-23)15(26)19-8-10-3-5-11(18)6-4-10/h3-6,25H,2,7-9H2,1H3,(H,19,26)(H,20,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide?
N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide has a molecular weight of 375.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-7-hydroxy-3,6-dioxo-2-propyl-1,4-dihydropyrimido[2,1-c][1,2,4]triazine-8-carboxamide is sourced from PubChem (CID 143150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).