5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 136970808

IUPAC5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCCC1COC(C)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-3-8-5-17-7(2)4-15(8)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyOVJWNOQOQDDGKN-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.43
Rot. Bonds2

About 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one

5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136970808) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136970808
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCCC1COC(C)CN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-3-8-5-17-7(2)4-15(8)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyOVJWNOQOQDDGKN-UHFFFAOYSA-N
XLogP1.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583244
5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706921
5-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749178
5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749181
5-chloro-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783258
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783261
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792834
5-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825658
5-chloro-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954500
5-chloro-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970786
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136970808) is 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is CCC1COC(C)CN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is OVJWNOQOQDDGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-8-5-17-7(2)4-15(8)10-9(12)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).