5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one

C18H21N5O3 — CID 39894955

IUPAC5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one
SMILESC=CCn1c(Nc2ccc(OC)cc2OC)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C18H21N5O3/c1-6-9-23-17(24)16-15(11(2)21-22(16)3)20-18(23)19-13-8-7-12(25-4)10-14(13)26-5/h6-8,10H,1,9H2,2-5H3,(H,19,20)
InChIKeyJZTLXBRBCFFSEZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.39
Rot. Bonds6

About 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one

5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 39894955) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID39894955
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one
SMILESC=CCn1c(Nc2ccc(OC)cc2OC)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C18H21N5O3/c1-6-9-23-17(24)16-15(11(2)21-22(16)3)20-18(23)19-13-8-7-12(25-4)10-14(13)26-5/h6-8,10H,1,9H2,2-5H3,(H,19,20)
InChIKeyJZTLXBRBCFFSEZ-UHFFFAOYSA-N
XLogP2.39
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-5-(3-methoxyanilino)-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39894200
8-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione
CID 7214320
2-(2,4-dimethoxyanilino)-1-prop-2-enyl-4H-imidazol-3-ium-5-one
CID 6986271
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907821
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908017
5-(2,4-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224887
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
6-ethyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757163
8-methoxy-5,5-dimethyl-3-prop-2-enyl-2-(prop-2-enylamino)-6H-benzo[h]quinazolin-4-one
CID 71720837
3-(2,4-dimethoxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135412294
prop-2-enyl N-(2,4-dimethoxyphenyl)carbamate
CID 91737375
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one (CID 39894955) is 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one is C=CCn1c(Nc2ccc(OC)cc2OC)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is JZTLXBRBCFFSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-6-9-23-17(24)16-15(11(2)21-22(16)3)20-18(23)19-13-8-7-12(25-4)10-14(13)26-5/h6-8,10H,1,9H2,2-5H3,(H,19,20).
What are the key properties of 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one?
5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 355.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-1,3-dimethyl-6-prop-2-enylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 39894955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).