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

C10H14ClN3O2 — CID 114582378

IUPAC6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCN1CCOCC1
InChIInChI=1S/C10H14ClN3O2/c11-9-7-10(15)14(8-12-9)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyHTVADOSOWUAJAV-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.23
Rot. Bonds3

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

6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (PubChem CID 114582378) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
PubChem CID114582378
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCN1CCOCC1
InChIInChI=1S/C10H14ClN3O2/c11-9-7-10(15)14(8-12-9)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyHTVADOSOWUAJAV-UHFFFAOYSA-N
XLogP0.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one (CID 114582378) is 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCN1CCOCC1.
What is the InChIKey of 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The InChIKey is HTVADOSOWUAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-9-7-10(15)14(8-12-9)2-1-13-3-5-16-6-4-13/h7-8H,1-6H2.
What are the key properties of 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one?
6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one has a molecular weight of 243.69 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-morpholin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).