1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one

C20H19N5O2 — CID 134291274

IUPAC1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc3[nH]ncc3cc2C)nc1=O
InChIInChI=1S/C20H19N5O2/c1-13-8-15-10-21-24-17(15)9-16(13)22-20-23-19(26)18(27-2)12-25(20)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23,26)
InChIKeyPFEXDZGEFVXYJB-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.23
Rot. Bonds5

About 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one

1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one (PubChem CID 134291274) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
PubChem CID134291274
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc3[nH]ncc3cc2C)nc1=O
InChIInChI=1S/C20H19N5O2/c1-13-8-15-10-21-24-17(15)9-16(13)22-20-23-19(26)18(27-2)12-25(20)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23,26)
InChIKeyPFEXDZGEFVXYJB-UHFFFAOYSA-N
XLogP3.23
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-2-[5-(dihydroxyamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 158183969
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
CID 134290313
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
1-benzyl-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291364
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one
CID 134290429
1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
CID 134290299
1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290987
1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
CID 134469215
2-(4-chloro-2,5-dimethylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290631
5-fluoro-2-[(6-methyl-1H-indazol-5-yl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291166
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one (CID 134291274) is 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one is COc1cn(Cc2ccccc2)c(Nc2cc3[nH]ncc3cc2C)nc1=O.
What is the InChIKey of 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
The InChIKey is PFEXDZGEFVXYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-8-15-10-21-24-17(15)9-16(13)22-20-23-19(26)18(27-2)12-25(20)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23,26).
What are the key properties of 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one?
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one has a molecular weight of 361.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one is sourced from PubChem (CID 134291274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).