1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione

C12H18N2O2 — CID 134536380

IUPAC1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CCCCCC2
InChIInChI=1S/C12H18N2O2/c1-13-10-8-6-4-3-5-7-9(10)11(15)14(2)12(13)16/h3-8H2,1-2H3
InChIKeyRPNGVYSHNCOEIU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.74
Rot. Bonds

About 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione

1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione (PubChem CID 134536380) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione
PubChem CID134536380
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CCCCCC2
InChIInChI=1S/C12H18N2O2/c1-13-10-8-6-4-3-5-7-9(10)11(15)14(2)12(13)16/h3-8H2,1-2H3
InChIKeyRPNGVYSHNCOEIU-UHFFFAOYSA-N
XLogP0.74
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[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-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione (CID 134536380) is 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CCCCCC2.
What is the InChIKey of 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione?
The InChIKey is RPNGVYSHNCOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-10-8-6-4-3-5-7-9(10)11(15)14(2)12(13)16/h3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione?
1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 134536380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).