2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C12H18N4O — CID 135445467

IUPAC2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCN1CCN(c2nc3c(c(=O)[nH]2)CCC3)CC1
InChIInChI=1S/C12H18N4O/c1-15-5-7-16(8-6-15)12-13-10-4-2-3-9(10)11(17)14-12/h2-8H2,1H3,(H,13,14,17)
InChIKeyHNUCZRIXNYRSNB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.01
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135445467) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135445467
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCN1CCN(c2nc3c(c(=O)[nH]2)CCC3)CC1
InChIInChI=1S/C12H18N4O/c1-15-5-7-16(8-6-15)12-13-10-4-2-3-9(10)11(17)14-12/h2-8H2,1H3,(H,13,14,17)
InChIKeyHNUCZRIXNYRSNB-UHFFFAOYSA-N
XLogP0.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135445467) is 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CN1CCN(c2nc3c(c(=O)[nH]2)CCC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is HNUCZRIXNYRSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-5-7-16(8-6-15)12-13-10-4-2-3-9(10)11(17)14-12/h2-8H2,1H3,(H,13,14,17).
What are the key properties of 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135445467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).