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

C9H13ClN4O2 — CID 57049602

IUPAC5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CNCCN1c1nc(O)c(Cl)c(=O)[nH]1
InChIInChI=1S/C9H13ClN4O2/c1-5-4-11-2-3-14(5)9-12-7(15)6(10)8(16)13-9/h5,11H,2-4H2,1H3,(H2,12,13,15,16)
InChIKeyGTQAPEZXMFMXHE-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.07
Rot. Bonds1

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

5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 57049602) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID57049602
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CNCCN1c1nc(O)c(Cl)c(=O)[nH]1
InChIInChI=1S/C9H13ClN4O2/c1-5-4-11-2-3-14(5)9-12-7(15)6(10)8(16)13-9/h5,11H,2-4H2,1H3,(H2,12,13,15,16)
InChIKeyGTQAPEZXMFMXHE-UHFFFAOYSA-N
XLogP-0.07
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-methyl-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 56976156
(3R)-4-(5-chloro-2-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperazine-1-carboxylic acid
CID 146226180
4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 150222005
5-chloro-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 13636849
4-hydroxy-5-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 63556062
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842970
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
5-chloro-4-(2-methyl-3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 136971302
4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972835
4-[4-(1-aminobutan-2-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972845
5-chloro-4-(3-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136973387

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 57049602) is 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is CC1CNCCN1c1nc(O)c(Cl)c(=O)[nH]1.
What is the InChIKey of 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is GTQAPEZXMFMXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-5-4-11-2-3-14(5)9-12-7(15)6(10)8(16)13-9/h5,11H,2-4H2,1H3,(H2,12,13,15,16).
What are the key properties of 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 244.68 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 57049602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).