4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine

C10H13Cl2N3O — CID 174210212

IUPAC4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2cnc(Cl)nc2Cl)CCO1
InChIInChI=1S/C10H13Cl2N3O/c1-7-5-15(2-3-16-7)6-8-4-13-10(12)14-9(8)11/h4,7H,2-3,5-6H2,1H3
InChIKeyMOIAQVGIOJDXGY-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.00
Rot. Bonds2

About 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine

4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine (PubChem CID 174210212) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine
PubChem CID174210212
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2cnc(Cl)nc2Cl)CCO1
InChIInChI=1S/C10H13Cl2N3O/c1-7-5-15(2-3-16-7)6-8-4-13-10(12)14-9(8)11/h4,7H,2-3,5-6H2,1H3
InChIKeyMOIAQVGIOJDXGY-UHFFFAOYSA-N
XLogP2.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine (CID 174210212) is 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine is CC1CN(Cc2cnc(Cl)nc2Cl)CCO1.
What is the InChIKey of 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine?
The InChIKey is MOIAQVGIOJDXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-7-5-15(2-3-16-7)6-8-4-13-10(12)14-9(8)11/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine?
4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine has a molecular weight of 262.14 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine is sourced from PubChem (CID 174210212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).