1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione

C21H20N4O2 — CID 45106017

IUPAC1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-14-7-9-17(10-8-14)25-20(26)19-18(12-22-23(19)3)24(21(25)27)13-16-6-4-5-15(2)11-16/h4-12H,13H2,1-3H3
InChIKeyCKBXRMUDXZQILT-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.55
Rot. Bonds3

About 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione

1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione (PubChem CID 45106017) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
PubChem CID45106017
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione
SMILESCc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-14-7-9-17(10-8-14)25-20(26)19-18(12-22-23(19)3)24(21(25)27)13-16-6-4-5-15(2)11-16/h4-12H,13H2,1-3H3
InChIKeyCKBXRMUDXZQILT-UHFFFAOYSA-N
XLogP2.55
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-methyl-6-(4-methylphenyl)-5,7-dioxopyrazolo[4,5-d]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 46506608
3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 95922194
1-(3-methylbutyl)-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 46047505
3-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46246392
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331547
1-benzyl-3-(4-chlorophenyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 42862810
6-bromo-3-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 17190267
1-[(4-chlorophenyl)methyl]-5,8-dimethyl-3-(3-methylphenyl)pyrimido[5,4-b]indole-2,4-dione
CID 16811560
3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]-1-propan-2-ylpurine-2,6-dione
CID 42853153
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
CID 22428388
3-(4-methoxyphenyl)-1-[(3-methylphenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
CID 20875613

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione (CID 45106017) is 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione is Cc1ccc(-n2c(=O)c3c(cnn3C)n(Cc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?
The InChIKey is CKBXRMUDXZQILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-7-9-17(10-8-14)25-20(26)19-18(12-22-23(19)3)24(21(25)27)13-16-6-4-5-15(2)11-16/h4-12H,13H2,1-3H3.
What are the key properties of 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione?
1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione has a molecular weight of 360.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-methylphenyl)-4-[(3-methylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 45106017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).