[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C16H22N4O2 — CID 53192948

IUPAC[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C16H22N4O2/c21-16(14-5-2-10-22-14)20-8-6-19(7-9-20)15-12-3-1-4-13(12)17-11-18-15/h11,14H,1-10H2
InChIKeyPMIGWPPYHXRXDF-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.79
Rot. Bonds2

About [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 53192948) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID53192948
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C16H22N4O2/c21-16(14-5-2-10-22-14)20-8-6-19(7-9-20)15-12-3-1-4-13(12)17-11-18-15/h11,14H,1-10H2
InChIKeyPMIGWPPYHXRXDF-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 53192948) is [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is PMIGWPPYHXRXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(14-5-2-10-22-14)20-8-6-19(7-9-20)15-12-3-1-4-13(12)17-11-18-15/h11,14H,1-10H2.
What are the key properties of [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 53192948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).