5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one

C10H14ClN3O3 — CID 136981221

IUPAC5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Cl)CC(CO)O1
InChIInChI=1S/C10H14ClN3O3/c1-6-2-14(3-7(4-15)17-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyNVWKHCWXMIPLEG-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.01
Rot. Bonds2

About 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one

5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136981221) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136981221
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1CN(c2nc[nH]c(=O)c2Cl)CC(CO)O1
InChIInChI=1S/C10H14ClN3O3/c1-6-2-14(3-7(4-15)17-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyNVWKHCWXMIPLEG-UHFFFAOYSA-N
XLogP0.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979644
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 102939050
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
[4-(3,6-dichloro-1,2,4-triazin-5-yl)-6-methylmorpholin-2-yl]methanol
CID 102933968
4-(3-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-1H-pyrimidin-6-one
CID 137001460
[4-(1-ethylimidazol-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102935092
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 102933302
[4-[5-(hydroxymethyl)pyrazin-2-yl]-6-methylmorpholin-2-yl]methanol
CID 107372998
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 136981221) is 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is CC1CN(c2nc[nH]c(=O)c2Cl)CC(CO)O1.
What is the InChIKey of 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is NVWKHCWXMIPLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6-2-14(3-7(4-15)17-6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16).
What are the key properties of 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 259.69 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136981221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).