4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine

C12H18ClN3O — CID 80663995

IUPAC4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
SMILESCc1cc(Cl)nc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C12H18ClN3O/c1-9-6-10(13)15-11(14-9)7-16-4-5-17-8-12(16,2)3/h6H,4-5,7-8H2,1-3H3
InChIKeyVLEIJZJJCBBZFM-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.05
Rot. Bonds2

About 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine

4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine (PubChem CID 80663995) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
PubChem CID80663995
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
SMILESCc1cc(Cl)nc(CN2CCOCC2(C)C)n1
InChIInChI=1S/C12H18ClN3O/c1-9-6-10(13)15-11(14-9)7-16-4-5-17-8-12(16,2)3/h6H,4-5,7-8H2,1-3H3
InChIKeyVLEIJZJJCBBZFM-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.05
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]-3,3-dimethylmorpholine?
The IUPAC name of 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine (CID 80663995) is 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine is Cc1cc(Cl)nc(CN2CCOCC2(C)C)n1.
What is the InChIKey of 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine?
The InChIKey is VLEIJZJJCBBZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-6-10(13)15-11(14-9)7-16-4-5-17-8-12(16,2)3/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine?
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3,3-dimethylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 2.05, 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]-3,3-dimethylmorpholine is sourced from PubChem (CID 80663995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).