6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C15H16N4O2 — CID 163692097

IUPAC6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c1CC(n1cnc3c(c1=O)CCC3)CC2
InChIInChI=1S/C15H16N4O2/c20-14-11-6-9(4-5-13(11)16-7-17-14)19-8-18-12-3-1-2-10(12)15(19)21/h7-9H,1-6H2,(H,16,17,20)
InChIKeyJTVXNNLFEBTNDV-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.55
Rot. Bonds1

About 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 163692097) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID163692097
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2c1CC(n1cnc3c(c1=O)CCC3)CC2
InChIInChI=1S/C15H16N4O2/c20-14-11-6-9(4-5-13(11)16-7-17-14)19-8-18-12-3-1-2-10(12)15(19)21/h7-9H,1-6H2,(H,16,17,20)
InChIKeyJTVXNNLFEBTNDV-UHFFFAOYSA-N
XLogP0.55
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 163692097) is 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is O=c1[nH]cnc2c1CC(n1cnc3c(c1=O)CCC3)CC2.
What is the InChIKey of 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is JTVXNNLFEBTNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14-11-6-9(4-5-13(11)16-7-17-14)19-8-18-12-3-1-2-10(12)15(19)21/h7-9H,1-6H2,(H,16,17,20).
What are the key properties of 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 284.32 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 163692097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).