3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C11H16N2O2 — CID 78208161

IUPAC3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCC(C)(C)N1C(=O)N=C2CCCC2C1=O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-9(14)7-5-4-6-8(7)12-10(13)15/h7H,4-6H2,1-3H3
InChIKeyVCYQUBIIVFEPDF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.99
Rot. Bonds

About 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 78208161) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID78208161
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCC(C)(C)N1C(=O)N=C2CCCC2C1=O
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-9(14)7-5-4-6-8(7)12-10(13)15/h7H,4-6H2,1-3H3
InChIKeyVCYQUBIIVFEPDF-UHFFFAOYSA-N
XLogP1.99
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[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

Related Compounds

2-tert-butyl-4,5,6,7-tetrahydro-3aH-indazol-3-one
CID 61382764
2-methyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 20801972
2-butyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 61381918
2-(3-methylbutyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 61414670
(10aR)-1-methyl-4,5,6,7,8,9,10,10a-octahydrocyclonona[d]imidazol-2-one
CID 146579634
3-tert-butyl-6-methyl-5H-pyrimidine-2,4-dione
CID 91980094
3-methyl-4,4a,5,6,7,8-hexahydroquinazolin-2-one
CID 91447042
2-butan-2-yl-4,5,6,7-tetrahydro-3aH-indazol-3-one
CID 61382682
4-(2-methylpropylsulfanyl)-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 75119049
(3aR)-7,8-dimethyl-5-[(2-methylphenyl)methyl]-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one
CID 98265555
2-(7,8-dimethyl-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)-N-propan-2-ylacetamide
CID 53005429
4-butan-2-ylsulfanyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 75119047

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 78208161) is 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is CC(C)(C)N1C(=O)N=C2CCCC2C1=O.
What is the InChIKey of 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is VCYQUBIIVFEPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)13-9(14)7-5-4-6-8(7)12-10(13)15/h7H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 78208161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).