6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

C12H18ClN3O2 — CID 114584436

IUPAC6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCN1CCOCC1
InChIInChI=1S/C12H18ClN3O2/c1-2-11-14-10(13)9-12(17)16(11)4-3-15-5-7-18-8-6-15/h9H,2-8H2,1H3
InChIKeyBDDVSXHPICGGNO-UHFFFAOYSA-N
MW271.75 g/mol
LogP0.79
Rot. Bonds4

About 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one

6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (PubChem CID 114584436) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
PubChem CID114584436
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESCCc1nc(Cl)cc(=O)n1CCN1CCOCC1
InChIInChI=1S/C12H18ClN3O2/c1-2-11-14-10(13)9-12(17)16(11)4-3-15-5-7-18-8-6-15/h9H,2-8H2,1H3
InChIKeyBDDVSXHPICGGNO-UHFFFAOYSA-N
XLogP0.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5z)-2-Ethyl-3-methyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700627
6-Chloro-2-ethyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114584477
2,3-Dimethyl-6-morpholin-4-ylpyrimidin-4-one
CID 123808604
2-(Aminomethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84689153
6-Chloro-3-[2-(3-methoxypropoxy)ethyl]-2-methylpyrimidin-4-one
CID 103182124
6-Chloro-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182144
6-Chloro-2-methyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455816
6-Chloro-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455817
6-Chloro-2-ethyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455828
6-Chloro-2-ethyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455829
6-Chloro-2-cyclopropyl-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455830
6-Chloro-2-cyclopropyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455831

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (CID 114584436) is 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is CCc1nc(Cl)cc(=O)n1CCN1CCOCC1.
What is the InChIKey of 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The InChIKey is BDDVSXHPICGGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-2-11-14-10(13)9-12(17)16(11)4-3-15-5-7-18-8-6-15/h9H,2-8H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one has a molecular weight of 271.75 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114584436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).