2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one

C8H10ClN3O2 — CID 137130492

IUPAC2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(Cl)[nH]1
InChIInChI=1S/C8H10ClN3O2/c9-8-10-6(5-7(13)11-8)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyMWAYIQCZGKLBMX-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.26
Rot. Bonds1

About 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one

2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 137130492) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID137130492
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(Cl)[nH]1
InChIInChI=1S/C8H10ClN3O2/c9-8-10-6(5-7(13)11-8)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyMWAYIQCZGKLBMX-UHFFFAOYSA-N
XLogP0.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
5,7-dimorpholin-4-yl-1H-1,8-naphthyridin-2-one
CID 5481691
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007
2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156749658
(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one
CID 161185733
5-morpholin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166643225
4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
CID 59529076
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
CID 6989309
4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine
CID 155758423
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one (CID 137130492) is 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one is O=c1cc(N2CCOCC2)nc(Cl)[nH]1.
What is the InChIKey of 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is MWAYIQCZGKLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-8-10-6(5-7(13)11-8)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one?
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 215.64 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137130492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).