6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

C11H14ClN3O3 — CID 114581766

IUPAC6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c1-8-13-9(12)6-10(16)15(8)7-11(17)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeySSGQYPIEKPGJMU-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.06
Rot. Bonds2

About 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (PubChem CID 114581766) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
PubChem CID114581766
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N1CCOCC1
InChIInChI=1S/C11H14ClN3O3/c1-8-13-9(12)6-10(16)15(8)7-11(17)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3
InChIKeySSGQYPIEKPGJMU-UHFFFAOYSA-N
XLogP0.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (CID 114581766) is 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC(=O)N1CCOCC1.
What is the InChIKey of 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The InChIKey is SSGQYPIEKPGJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-8-13-9(12)6-10(16)15(8)7-11(17)14-2-4-18-5-3-14/h6H,2-5,7H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one has a molecular weight of 271.70 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is sourced from PubChem (CID 114581766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).