4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine

C14H22ClN3O — CID 55228745

IUPAC4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCC1CN(c2ncnc(Cl)c2C(C)C)CC(C)(C)O1
InChIInChI=1S/C14H22ClN3O/c1-9(2)11-12(15)16-8-17-13(11)18-6-10(3)19-14(4,5)7-18/h8-10H,6-7H2,1-5H3
InChIKeyRYCSSNPUKHQIBL-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.26
Rot. Bonds2

About 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine

4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine (PubChem CID 55228745) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
PubChem CID55228745
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCC1CN(c2ncnc(Cl)c2C(C)C)CC(C)(C)O1
InChIInChI=1S/C14H22ClN3O/c1-9(2)11-12(15)16-8-17-13(11)18-6-10(3)19-14(4,5)7-18/h8-10H,6-7H2,1-5H3
InChIKeyRYCSSNPUKHQIBL-UHFFFAOYSA-N
XLogP3.26
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine (CID 55228745) is 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine is CC1CN(c2ncnc(Cl)c2C(C)C)CC(C)(C)O1.
What is the InChIKey of 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The InChIKey is RYCSSNPUKHQIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)11-12(15)16-8-17-13(11)18-6-10(3)19-14(4,5)7-18/h8-10H,6-7H2,1-5H3.
What are the key properties of 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine has a molecular weight of 283.80 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 55228745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).