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

C8H10ClN3O2 — CID 135502877

IUPAC4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cl)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C8H10ClN3O2/c9-6-5-7(13)11-8(10-6)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyZAGPKLGKLNESKA-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.26
Rot. Bonds1

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

4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135502877) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135502877
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cl)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C8H10ClN3O2/c9-6-5-7(13)11-8(10-6)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyZAGPKLGKLNESKA-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

6-Methyl-2-(4-morpholinyl)-4(3H)-pyrimidinone
CID 135418934
2-amino-6-morpholin-4-ylpyrimidin-4(3H)-one
CID 135512317
2-(dimethylamino)-6-morpholinopyrimidin-4(3H)-one
CID 136188794
2-Morpholin-4-yl-pyrimidin-4-ol
CID 1404213
6-Amino-2-(morpholin-4-yl)pyrimidin-4(1H)-one
CID 135587491
6-Morpholinopyrimidin-4-ol
CID 136128233
2-fluoro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 153909156
5-fluoro-2-morpholin-4-ylpyrimidin-4(3H)-one
CID 53486779
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-dihydropyrimidin-4-one
CID 1404205
2-Morpholinopyrimidine-4,6-diol
CID 4729015
2-Amino-6-chloro-3-(2-ethoxyethyl)pyrimidin-4-one
CID 23525153
2-[(3S)-3-methylmorpholin-4-yl]pyrimidine-4,6-diol
CID 118436105

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135502877) is 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one is O=c1cc(Cl)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is ZAGPKLGKLNESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-6-5-7(13)11-8(10-6)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-chloro-2-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 4-chloro-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135502877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).