4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine

C14H22ClN3O — CID 80939007

IUPAC4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCCCc1nc(Cl)cc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-12-16-11(15)7-13(17-12)18-8-10(2)19-14(3,4)9-18/h7,10H,5-6,8-9H2,1-4H3
InChIKeyYLXSIVLQAFQRAR-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.09
Rot. Bonds3

About 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine

4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine (PubChem CID 80939007) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
PubChem CID80939007
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCCCc1nc(Cl)cc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-12-16-11(15)7-13(17-12)18-8-10(2)19-14(3,4)9-18/h7,10H,5-6,8-9H2,1-4H3
InChIKeyYLXSIVLQAFQRAR-UHFFFAOYSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine (CID 80939007) is 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine is CCCc1nc(Cl)cc(N2CC(C)OC(C)(C)C2)n1.
What is the InChIKey of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The InChIKey is YLXSIVLQAFQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-6-12-16-11(15)7-13(17-12)18-8-10(2)19-14(3,4)9-18/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine has a molecular weight of 283.80 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 80939007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).