1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione

C18H25N5O3S — CID 7475824

IUPAC1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(C)Cc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C18H25N5O3S/c1-11(2)9-12-19-15-14(17(25)22(4)18(26)21(15)3)16(20-12)27-10-13(24)23-7-5-6-8-23/h11H,5-10H2,1-4H3
InChIKeyUHDMVAGZMOSTER-UHFFFAOYSA-N
MW391.50 g/mol
LogP0.94
Rot. Bonds5

About 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione

1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 7475824) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID7475824
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCC(C)Cc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C18H25N5O3S/c1-11(2)9-12-19-15-14(17(25)22(4)18(26)21(15)3)16(20-12)27-10-13(24)23-7-5-6-8-23/h11H,5-10H2,1-4H3
InChIKeyUHDMVAGZMOSTER-UHFFFAOYSA-N
XLogP0.94
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-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 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione (CID 7475824) is 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione is CC(C)Cc1nc(SCC(=O)N2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is UHDMVAGZMOSTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-11(2)9-12-19-15-14(17(25)22(4)18(26)21(15)3)16(20-12)27-10-13(24)23-7-5-6-8-23/h11H,5-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 391.50 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(2-methylpropyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7475824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).