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

C17H19Cl2N3O2 — CID 7328741

IUPAC(4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1Cl)NC(=O)N2C
InChIInChI=1S/C17H19Cl2N3O2/c1-9(2)7-22-8-13-14(16(22)23)15(20-17(24)21(13)3)11-5-4-10(18)6-12(11)19/h4-6,9,15H,7-8H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyIFJMTKMFMQKRPW-HNNXBMFYSA-N
MW368.26 g/mol
LogP3.44
Rot. Bonds3

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

(4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 7328741) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
PubChem CID7328741
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name(4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1Cl)NC(=O)N2C
InChIInChI=1S/C17H19Cl2N3O2/c1-9(2)7-22-8-13-14(16(22)23)15(20-17(24)21(13)3)11-5-4-10(18)6-12(11)19/h4-6,9,15H,7-8H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyIFJMTKMFMQKRPW-HNNXBMFYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 7328741) is (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CC(C)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1Cl)NC(=O)N2C.
What is the InChIKey of (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is IFJMTKMFMQKRPW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-9(2)7-22-8-13-14(16(22)23)15(20-17(24)21(13)3)11-5-4-10(18)6-12(11)19/h4-6,9,15H,7-8H2,1-3H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?
(4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 368.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dichlorophenyl)-1-methyl-6-(2-methylpropyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 7328741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).