1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one

C23H23N5O2 — CID 134290884

IUPAC1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(-c3ccnn3C)ccc2C)nc1=O
InChIInChI=1S/C23H23N5O2/c1-16-9-10-18(20-11-12-24-27(20)2)13-19(16)25-23-26-22(29)21(30-3)15-28(23)14-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,25,26,29)
InChIKeyHJJUIPBLIPIZSV-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.75
Rot. Bonds6

About 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one

1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one (PubChem CID 134290884) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
PubChem CID134290884
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(-c3ccnn3C)ccc2C)nc1=O
InChIInChI=1S/C23H23N5O2/c1-16-9-10-18(20-11-12-24-27(20)2)13-19(16)25-23-26-22(29)21(30-3)15-28(23)14-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,25,26,29)
InChIKeyHJJUIPBLIPIZSV-UHFFFAOYSA-N
XLogP3.75
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-Difluorophenyl)methyl]-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
CID 134290854
1-[(3-Chloro-5-fluorophenyl)methyl]-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
CID 134291117
1-[(3,4-Difluorophenyl)methyl]-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
CID 134291331
1-[(3-Chloro-4-fluorophenyl)methyl]-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
CID 134469066
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291274
1-benzyl-5-methoxy-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 155110225
1-[(2E)-2-[(E)-2-chloro-3-fluoroprop-1-enyl]penta-2,4-dienyl]-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one
CID 134290735
(E)-3-[(3,5-difluorophenyl)methyl-[[2-ethyl-5-(2-methylpyrazol-3-yl)anilino]methyl]amino]-2-methoxy-N-methylideneprop-2-enamide
CID 145173909
(E)-3-[(3,4-difluorophenyl)methyl-[[2-methyl-5-(2-methylpyrazol-3-yl)anilino]methyl]amino]-2-methoxy-N-methylideneprop-2-enamide
CID 145174241
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate
CID 54575679
4-[4-(4-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979948
4-[4-(3-aminophenyl)pyrazol-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979956

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one (CID 134290884) is 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one is COc1cn(Cc2ccccc2)c(Nc2cc(-c3ccnn3C)ccc2C)nc1=O.
What is the InChIKey of 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one?
The InChIKey is HJJUIPBLIPIZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-9-10-18(20-11-12-24-27(20)2)13-19(16)25-23-26-22(29)21(30-3)15-28(23)14-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,25,26,29).
What are the key properties of 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one?
1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-2-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]pyrimidin-4-one is sourced from PubChem (CID 134290884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).