4-(4-chloro-6-methylpyrimidin-2-yl)morpholine

C9H12ClN3O — CID 854011

IUPAC4-(4-chloro-6-methylpyrimidin-2-yl)morpholine
SMILESCc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H12ClN3O/c1-7-6-8(10)12-9(11-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKeyRZJHEWQAORJNGN-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.28
Rot. Bonds1

About 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine

4-(4-chloro-6-methylpyrimidin-2-yl)morpholine (PubChem CID 854011) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-methylpyrimidin-2-yl)morpholine
PubChem CID854011
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-(4-chloro-6-methylpyrimidin-2-yl)morpholine
SMILESCc1cc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H12ClN3O/c1-7-6-8(10)12-9(11-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
InChIKeyRZJHEWQAORJNGN-UHFFFAOYSA-N
XLogP1.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.28
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)morpholine?
The IUPAC name of 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine (CID 854011) is 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine is Cc1cc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine?
The InChIKey is RZJHEWQAORJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-7-6-8(10)12-9(11-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3.
What are the key properties of 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine?
4-(4-chloro-6-methylpyrimidin-2-yl)morpholine has a molecular weight of 213.67 g/mol, XLogP of 1.28, 1 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)morpholine is sourced from PubChem (CID 854011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).