3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C19H23N3O2 — CID 10336456

IUPAC3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)9-22-17-12-21(10-15-7-5-14(3)6-8-15)11-16(17)18(23)20(4)19(22)24/h5-8,11-13H,9-10H2,1-4H3
InChIKeyZXJNEODSHQYCCI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 10336456) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID10336456
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1
InChIInChI=1S/C19H23N3O2/c1-13(2)9-22-17-12-21(10-15-7-5-14(3)6-8-15)11-16(17)18(23)20(4)19(22)24/h5-8,11-13H,9-10H2,1-4H3
InChIKeyZXJNEODSHQYCCI-UHFFFAOYSA-N
XLogP2.51
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(2-methylpropyl)-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 5282550
3-Methyl-6-(naphthalen-1-ylmethyl)-1-propan-2-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 10066275
1,3-dimethyl-5-(3-methylphenyl)-6-(propan-2-yl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 663643
6-(2-hydroxyethyl)-1,3-dimethyl-5-(3-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664394
1,3-dimethyl-5-phenyl-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664477
1,3-dimethyl-5-(4-methylphenyl)-6-(pyridin-2-ylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 664496
6-(3,4-dimethylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665353
6-Benzyl-1,3-dimethyl-5-p-tolyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 1992652
6-cyclohexyl-7-[(4-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3238287
1-(2-Hydroxypropyl)-3-methyl-6-(1-naphthalenylmethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 5282554
6-Butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2018511
6-(2-aminophenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 709856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 10336456) is 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is Cc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1.
What is the InChIKey of 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is ZXJNEODSHQYCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)9-22-17-12-21(10-15-7-5-14(3)6-8-15)11-16(17)18(23)20(4)19(22)24/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 325.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(4-methylphenyl)methyl]-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10336456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).