3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one

C14H20ClN3O2 — CID 155686687

IUPAC3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCc1c(C)nc(Cl)nc1CCC(=O)N1CCOCC1
InChIInChI=1S/C14H20ClN3O2/c1-3-11-10(2)16-14(15)17-12(11)4-5-13(19)18-6-8-20-9-7-18/h3-9H2,1-2H3
InChIKeyDWPDMKGIKZMJST-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.79
Rot. Bonds4

About 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one

3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 155686687) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID155686687
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one
SMILESCCc1c(C)nc(Cl)nc1CCC(=O)N1CCOCC1
InChIInChI=1S/C14H20ClN3O2/c1-3-11-10(2)16-14(15)17-12(11)4-5-13(19)18-6-8-20-9-7-18/h3-9H2,1-2H3
InChIKeyDWPDMKGIKZMJST-UHFFFAOYSA-N
XLogP1.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133437153
3-(1-ethyl-3-methylpyrazol-4-yl)-1-morpholin-4-ylpropan-1-one
CID 35762496
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599
5-[3-(azepan-1-yl)-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 137288209
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 113406418
3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 146072644
4,6-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-2-one
CID 60675896
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 648485
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 55485650
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
5-[3-[(4R)-4-ethylazepan-1-yl]-3-oxopropyl]-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136679122

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one (CID 155686687) is 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one is CCc1c(C)nc(Cl)nc1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is DWPDMKGIKZMJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-11-10(2)16-14(15)17-12(11)4-5-13(19)18-6-8-20-9-7-18/h3-9H2,1-2H3.
What are the key properties of 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one?
3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 297.79 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 155686687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).