6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one

C16H19N5O2 — CID 39894200

IUPAC6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(Nc2cccc(OC)c2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C16H19N5O2/c1-5-21-15(22)14-13(10(2)19-20(14)3)18-16(21)17-11-7-6-8-12(9-11)23-4/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyBPQMIRXCLQBFAP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.21
Rot. Bonds4

About 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one

6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 39894200) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID39894200
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(Nc2cccc(OC)c2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C16H19N5O2/c1-5-21-15(22)14-13(10(2)19-20(14)3)18-16(21)17-11-7-6-8-12(9-11)23-4/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyBPQMIRXCLQBFAP-UHFFFAOYSA-N
XLogP2.21
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one
CID 39894955
6-ethyl-1,3-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazolo[4,5-d]pyrimidin-7-one
CID 39894375
5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554187
6-ethyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757163
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
3-ethyl-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-one
CID 11210054
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58345945
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244
N-(4-chlorophenyl)-2-[1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl]sulfanylacetamide
CID 53050627
3-ethoxy-4-(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2823065
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one (CID 39894200) is 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one is CCn1c(Nc2cccc(OC)c2)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BPQMIRXCLQBFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-5-21-15(22)14-13(10(2)19-20(14)3)18-16(21)17-11-7-6-8-12(9-11)23-4/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 313.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 39894200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).