4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine

C11H16ClN3O — CID 80663756

IUPAC4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine
SMILESCc1cc(Cl)nc(CN2CCOC(C)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)7-15-3-4-16-9(2)6-15/h5,9H,3-4,6-7H2,1-2H3
InChIKeyPZJWZMHGCSKKTH-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.66
Rot. Bonds2

About 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine

4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine (PubChem CID 80663756) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine
PubChem CID80663756
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine
SMILESCc1cc(Cl)nc(CN2CCOC(C)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)7-15-3-4-16-9(2)6-15/h5,9H,3-4,6-7H2,1-2H3
InChIKeyPZJWZMHGCSKKTH-UHFFFAOYSA-N
XLogP1.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine (CID 80663756) is 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine is Cc1cc(Cl)nc(CN2CCOC(C)C2)n1.
What is the InChIKey of 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine?
The InChIKey is PZJWZMHGCSKKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-5-10(12)14-11(13-8)7-15-3-4-16-9(2)6-15/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine?
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine is sourced from PubChem (CID 80663756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).