4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

C10H16N4O2 — CID 63556240

IUPAC4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CN2CCNCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-9(15)12-8(13-10(7)16)6-14-4-2-11-3-5-14/h11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyMCVDTKCPARKTBR-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.81
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 63556240) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID63556240
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CN2CCNCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-7-9(15)12-8(13-10(7)16)6-14-4-2-11-3-5-14/h11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyMCVDTKCPARKTBR-UHFFFAOYSA-N
XLogP-0.81
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 63556240) is 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CN2CCNCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is MCVDTKCPARKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-9(15)12-8(13-10(7)16)6-14-4-2-11-3-5-14/h11H,2-6H2,1H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63556240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).