5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one

C9H12ClN3O3 — CID 114586606

IUPAC5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CNCCO2)c1Cl
InChIInChI=1S/C9H12ClN3O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4H2,(H,12,13,14)
InChIKeySQYAAUASKLKMMA-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.21
Rot. Bonds3

About 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one

5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586606) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586606
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CNCCO2)c1Cl
InChIInChI=1S/C9H12ClN3O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4H2,(H,12,13,14)
InChIKeySQYAAUASKLKMMA-UHFFFAOYSA-N
XLogP-0.21
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586612
2-[[3-(morpholin-2-ylmethoxy)pyrazin-2-yl]oxymethyl]morpholine
CID 68542805
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114469123
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
CID 42048862
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine
CID 90202819
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride
CID 118468513
2-[(3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114468958
2-[(3,6-dichloropyridazin-4-yl)oxymethyl]morpholine
CID 114468893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one (CID 114586606) is 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCC2CNCCO2)c1Cl.
What is the InChIKey of 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is SQYAAUASKLKMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c10-7-8(14)12-5-13-9(7)16-4-6-3-11-1-2-15-6/h5-6,11H,1-4H2,(H,12,13,14).
What are the key properties of 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 245.67 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).