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

C9H12ClN3O3 — CID 136979789

IUPAC5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CO)C2)c1Cl
InChIInChI=1S/C9H12ClN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15)
InChIKeyOUTMTFWKUMPTST-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.38
Rot. Bonds2

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

5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136979789) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136979789
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CO)C2)c1Cl
InChIInChI=1S/C9H12ClN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15)
InChIKeyOUTMTFWKUMPTST-UHFFFAOYSA-N
XLogP-0.38
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766520
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
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-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811798
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
5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958039
4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136958040
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970788
4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972770
5-chloro-4-(1,4-dioxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136974458

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one (CID 136979789) is 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCOC(CO)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is OUTMTFWKUMPTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15).
What are the key properties of 5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
5-chloro-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 245.67 g/mol, XLogP of -0.38, 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)morpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).