6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one

C11H16ClN3O2 — CID 114581734

IUPAC6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CN(C)CCO1
InChIInChI=1S/C11H16ClN3O2/c1-8-13-10(12)5-11(16)15(8)7-9-6-14(2)3-4-17-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyRQIPFOVNGMLPPA-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.54
Rot. Bonds2

About 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one

6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (PubChem CID 114581734) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
PubChem CID114581734
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CC1CN(C)CCO1
InChIInChI=1S/C11H16ClN3O2/c1-8-13-10(12)5-11(16)15(8)7-9-6-14(2)3-4-17-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyRQIPFOVNGMLPPA-UHFFFAOYSA-N
XLogP0.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.54
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-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one (CID 114581734) is 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CC1CN(C)CCO1.
What is the InChIKey of 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is RQIPFOVNGMLPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8-13-10(12)5-11(16)15(8)7-9-6-14(2)3-4-17-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one?
6-chloro-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 257.72 g/mol, XLogP of 0.54, 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-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114581734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).