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

C10H14ClN3O3 — CID 136979794

IUPAC5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1COC(CO)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O3/c1-6-4-17-7(3-15)2-14(6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyMJBOZHQPVXWOBX-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.01
Rot. Bonds2

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

5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136979794) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136979794
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one
SMILESCC1COC(CO)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O3/c1-6-4-17-7(3-15)2-14(6)9-8(11)10(16)13-5-12-9/h5-7,15H,2-4H2,1H3,(H,12,13,16)
InChIKeyMJBOZHQPVXWOBX-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

4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
5-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825658
4-[2-(hydroxymethyl)morpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958037
4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958040
5-chloro-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970786
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970788
5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970808
5-chloro-4-(3-ethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970848
5-chloro-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975884
5-chloro-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979599
5-amino-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136979788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one (CID 136979794) is 5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one is CC1COC(CO)CN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is MJBOZHQPVXWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-6-4-17-7(3-15)2-14(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)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one?
5-chloro-4-[2-(hydroxymethyl)-5-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)-5-methylmorpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).