2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine

C13H20ClN3O — CID 79077180

IUPAC2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
SMILESCc1nc(C2CN(C)CCO2)nc(Cl)c1C(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)11-9(3)15-13(16-12(11)14)10-7-17(4)5-6-18-10/h8,10H,5-7H2,1-4H3
InChIKeyANPCOKYSNOTYGR-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.56
Rot. Bonds2

About 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine

2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine (PubChem CID 79077180) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
PubChem CID79077180
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine
SMILESCc1nc(C2CN(C)CCO2)nc(Cl)c1C(C)C
InChIInChI=1S/C13H20ClN3O/c1-8(2)11-9(3)15-13(16-12(11)14)10-7-17(4)5-6-18-10/h8,10H,5-7H2,1-4H3
InChIKeyANPCOKYSNOTYGR-UHFFFAOYSA-N
XLogP2.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The IUPAC name of 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine (CID 79077180) is 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine.
What is the SMILES notation for 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The canonical SMILES for 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine is Cc1nc(C2CN(C)CCO2)nc(Cl)c1C(C)C.
What is the InChIKey of 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
The InChIKey is ANPCOKYSNOTYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8(2)11-9(3)15-13(16-12(11)14)10-7-17(4)5-6-18-10/h8,10H,5-7H2,1-4H3.
What are the key properties of 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine?
2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine has a molecular weight of 269.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)-4-methylmorpholine is sourced from PubChem (CID 79077180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).