3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one

C20H21N5O — CID 146142774

IUPAC3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H21N5O/c26-20-16-4-1-2-6-18(16)23-13-25(20)14-8-10-24(11-9-14)19-15-5-3-7-17(15)21-12-22-19/h1-2,4,6,12-14H,3,5,7-11H2
InChIKeyKSEUFLFGNQMOQR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.52
Rot. Bonds2

About 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one

3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one (PubChem CID 146142774) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one
PubChem CID146142774
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H21N5O/c26-20-16-4-1-2-6-18(16)23-13-25(20)14-8-10-24(11-9-14)19-15-5-3-7-17(15)21-12-22-19/h1-2,4,6,12-14H,3,5,7-11H2
InChIKeyKSEUFLFGNQMOQR-UHFFFAOYSA-N
XLogP2.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one (CID 146142774) is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one is O=c1c2ccccc2ncn1C1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
The InChIKey is KSEUFLFGNQMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20-16-4-1-2-6-18(16)23-13-25(20)14-8-10-24(11-9-14)19-15-5-3-7-17(15)21-12-22-19/h1-2,4,6,12-14H,3,5,7-11H2.
What are the key properties of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 146142774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).