6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C13H20N4O2 — CID 946029

IUPAC6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(C1CCCC1)CN2
InChIInChI=1S/C13H20N4O2/c1-15-11-10(12(18)16(2)13(15)19)7-17(8-14-11)9-5-3-4-6-9/h9,14H,3-8H2,1-2H3
InChIKeyZZZDOWYROHPYBD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.21
Rot. Bonds1

About 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 946029) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID946029
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(C1CCCC1)CN2
InChIInChI=1S/C13H20N4O2/c1-15-11-10(12(18)16(2)13(15)19)7-17(8-14-11)9-5-3-4-6-9/h9,14H,3-8H2,1-2H3
InChIKeyZZZDOWYROHPYBD-UHFFFAOYSA-N
XLogP0.21
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[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 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 946029) is 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CN(C1CCCC1)CN2.
What is the InChIKey of 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is ZZZDOWYROHPYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-11-10(12(18)16(2)13(15)19)7-17(8-14-11)9-5-3-4-6-9/h9,14H,3-8H2,1-2H3.
What are the key properties of 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 264.33 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 946029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).