4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H16N4O2 — CID 56976156

IUPAC4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-6-5-11-3-4-14(6)10-12-8(15)7(2)9(16)13-10/h6,11H,3-5H2,1-2H3,(H2,12,13,15,16)
InChIKeyQZQZJWJAOUAFOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.42
Rot. Bonds1

About 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 56976156) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID56976156
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-6-5-11-3-4-14(6)10-12-8(15)7(2)9(16)13-10/h6,11H,3-5H2,1-2H3,(H2,12,13,15,16)
InChIKeyQZQZJWJAOUAFOO-UHFFFAOYSA-N
XLogP-0.42
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-hydroxy-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 80550602
5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57049602
5-ethyl-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57102753
2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136882938
4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 150222005
5-ethyl-2-(4-ethylpiperazin-1-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 1832032
2-(4-ethylpiperazin-1-yl)-6-hydroxypyrimidin-4(3H)-one
CID 1938733
4-hydroxy-5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 13636851
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
2-(1,4-diazepan-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63553743
4-hydroxy-5-methyl-2-(1-piperazin-1-ylethyl)-1H-pyrimidin-6-one
CID 63554115
4-hydroxy-5-methyl-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63554650

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 56976156) is 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is Cc1c(O)nc(N2CCNCC2C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QZQZJWJAOUAFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-5-11-3-4-14(6)10-12-8(15)7(2)9(16)13-10/h6,11H,3-5H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.42, 1 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-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 56976156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).