4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C12H18N4O — CID 83861425

IUPAC4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCc1[nH]c(=O)nc2c1C(N1CCNCC1)CC2
InChIInChI=1S/C12H18N4O/c1-8-11-9(15-12(17)14-8)2-3-10(11)16-6-4-13-5-7-16/h10,13H,2-7H2,1H3,(H,14,15,17)
InChIKeyZULAOBIEMFNMSH-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.03
Rot. Bonds1

About 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 83861425) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID83861425
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESCc1[nH]c(=O)nc2c1C(N1CCNCC1)CC2
InChIInChI=1S/C12H18N4O/c1-8-11-9(15-12(17)14-8)2-3-10(11)16-6-4-13-5-7-16/h10,13H,2-7H2,1H3,(H,14,15,17)
InChIKeyZULAOBIEMFNMSH-UHFFFAOYSA-N
XLogP-0.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 83861425) is 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is Cc1[nH]c(=O)nc2c1C(N1CCNCC1)CC2.
What is the InChIKey of 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is ZULAOBIEMFNMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-11-9(15-12(17)14-8)2-3-10(11)16-6-4-13-5-7-16/h10,13H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 234.30 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperazin-1-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 83861425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).