3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C7H8N2O — CID 135431340

IUPAC3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CCC2
InChIInChI=1S/C7H8N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChIKeyRCTLNIIGJAMFQP-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.26
Rot. Bonds

About 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135431340) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135431340
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1CCC2
InChIInChI=1S/C7H8N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10)
InChIKeyRCTLNIIGJAMFQP-UHFFFAOYSA-N
XLogP0.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one 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

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-
CID 135538130
4-Pyrimidinol, 6-methyl-5-propyl-
CID 135502773
2-amino-5H,6H,7H-cyclopenta[d]pyrimidin-4-ol
CID 135431317
4-Pyrimidinol, 5-butyl-6-methyl-
CID 135704114
4-Pyrimidinol, 5-ethyl-6-methyl-
CID 135854967
4-Pyrimidinol, 6-methyl-5-pentyl-
CID 135854969
4-Pyrimidinol, 6-methyl-5-octyl-
CID 135512717
4-Pyrimidinol, 5-dodecyl-6-methyl-
CID 135854966
4-Pyrimidinol, 5-hexyl-5-methyl-
CID 135854968
2,4-Diazabicyclo[4.2.0]octa-1(6),3-dien-5-one
CID 135966097
(R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
CID 136021583
4-(1-fluoropentyl)-5-methyl-1H-pyrimidin-6-one
CID 136482549

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135431340) is 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]cnc2c1CCC2.
What is the InChIKey of 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is RCTLNIIGJAMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-7-5-2-1-3-6(5)8-4-9-7/h4H,1-3H2,(H,8,9,10).
What are the key properties of 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 136.15 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135431340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).