2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one

C20H23FN8O2 — CID 143300454

IUPAC2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
SMILESC=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCN(Cc1nn[nH]n1)C2(C)C
InChIInChI=1S/C20H23FN8O2/c1-12(22-10-13-4-6-14(21)7-5-13)16-17(30)18(31)29-9-8-28(11-15-24-26-27-25-15)20(2,3)19(29)23-16/h4-7,22,30H,1,8-11H2,2-3H3,(H,24,25,26,27)
InChIKeyVWNWCNQWMBKCNP-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.11
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one

2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one (PubChem CID 143300454) has the molecular formula C20H23FN8O2 and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
PubChem CID143300454
Molecular FormulaC20H23FN8O2
Molecular Weight426.46 g/mol
Exact Mass426.19
IUPAC Name2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
SMILESC=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCN(Cc1nn[nH]n1)C2(C)C
InChIInChI=1S/C20H23FN8O2/c1-12(22-10-13-4-6-14(21)7-5-13)16-17(30)18(31)29-9-8-28(11-15-24-26-27-25-15)20(2,3)19(29)23-16/h4-7,22,30H,1,8-11H2,2-3H3,(H,24,25,26,27)
InChIKeyVWNWCNQWMBKCNP-UHFFFAOYSA-N
XLogP1.11
TPSA124.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-[(1-methyltetrazol-5-yl)methyl]-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698291
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-methylsulfonyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698279
2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 142913908
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-7,8-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684172
ethane;11-[1-[(4-fluorophenyl)methylamino]ethenyl]-10-hydroxy-3-thia-6,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 143300386
8-[2-(dimethylamino)acetyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54698283
8-benzyl-2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
CID 58476803
2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-8-(2H-triazol-4-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 143300445
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]-3-hydroxy-9,9-dimethyl-4-oxo-6,8-dihydropyrimido[2,1-d][1,2,5]thiadiazine-2-carboxamide
CID 91251624
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-[(4-methyl-1,3-oxazol-2-yl)methyl]-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
CID 58476870
2-[3-(4-fluorophenyl)propanoyl]-3-hydroxy-9,9-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one
CID 58476887

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one (CID 143300454) is 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one is C=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)CCN(Cc1nn[nH]n1)C2(C)C.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is VWNWCNQWMBKCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O2/c1-12(22-10-13-4-6-14(21)7-5-13)16-17(30)18(31)29-9-8-28(11-15-24-26-27-25-15)20(2,3)19(29)23-16/h4-7,22,30H,1,8-11H2,2-3H3,(H,24,25,26,27).
What are the key properties of 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one?
2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 426.46 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylamino]ethenyl]-3-hydroxy-9,9-dimethyl-8-(2H-tetrazol-5-ylmethyl)-6,7-dihydropyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 143300454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).