6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C16H15Cl2N3O2 — CID 42792889

IUPAC6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc(Cl)cc2Cl)C2=C1CN(C1CC1)C2=O
InChIInChI=1S/C16H15Cl2N3O2/c1-20-12-7-21(9-3-4-9)15(22)13(12)14(19-16(20)23)10-5-2-8(17)6-11(10)18/h2,5-6,9,14H,3-4,7H2,1H3,(H,19,23)
InChIKeyIUVSICPSYQMYIL-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.95
Rot. Bonds2

About 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 42792889) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID42792889
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCN1C(=O)NC(c2ccc(Cl)cc2Cl)C2=C1CN(C1CC1)C2=O
InChIInChI=1S/C16H15Cl2N3O2/c1-20-12-7-21(9-3-4-9)15(22)13(12)14(19-16(20)23)10-5-2-8(17)6-11(10)18/h2,5-6,9,14H,3-4,7H2,1H3,(H,19,23)
InChIKeyIUVSICPSYQMYIL-UHFFFAOYSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-cyclohexyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7412141
6-(1-benzylpiperidin-4-yl)-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42792886
(4S)-6-cyclopropyl-4-(2,3-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7350303
(4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7328741
(4S)-4-(2,4-dichlorophenyl)-6-(furan-2-ylmethyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7495001
6-cyclopropyl-4-(4-fluorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4618597
6-cyclopropyl-1-methyl-4-(4-propan-2-ylphenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42789288
(4R)-6-cyclopropyl-1-methyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7202165
(4S)-6-cyclopropyl-1-methyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7202164
(4S)-6-cyclohexyl-4-(2-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7256765
6-butyl-4-(2-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 24715649
6-(2-bicyclo[2.2.1]heptanyl)-4-(2,4-dimethylphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 3354148

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 42792889) is 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CN1C(=O)NC(c2ccc(Cl)cc2Cl)C2=C1CN(C1CC1)C2=O.
What is the InChIKey of 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is IUVSICPSYQMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-20-12-7-21(9-3-4-9)15(22)13(12)14(19-16(20)23)10-5-2-8(17)6-11(10)18/h2,5-6,9,14H,3-4,7H2,1H3,(H,19,23).
What are the key properties of 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 352.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(2,4-dichlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 42792889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).