2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine

C16H18ClN3O2 — CID 56867372

IUPAC2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
SMILESCOCc1cc(N2CCOC(c3ccc(Cl)cc3)C2)ncn1
InChIInChI=1S/C16H18ClN3O2/c1-21-10-14-8-16(19-11-18-14)20-6-7-22-15(9-20)12-2-4-13(17)5-3-12/h2-5,8,11,15H,6-7,9-10H2,1H3
InChIKeyGXHYVMBSAZZYOV-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.85
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine

2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine (PubChem CID 56867372) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
PubChem CID56867372
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
SMILESCOCc1cc(N2CCOC(c3ccc(Cl)cc3)C2)ncn1
InChIInChI=1S/C16H18ClN3O2/c1-21-10-14-8-16(19-11-18-14)20-6-7-22-15(9-20)12-2-4-13(17)5-3-12/h2-5,8,11,15H,6-7,9-10H2,1H3
InChIKeyGXHYVMBSAZZYOV-UHFFFAOYSA-N
XLogP2.85
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine (CID 56867372) is 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine is COCc1cc(N2CCOC(c3ccc(Cl)cc3)C2)ncn1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine?
The InChIKey is GXHYVMBSAZZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-21-10-14-8-16(19-11-18-14)20-6-7-22-15(9-20)12-2-4-13(17)5-3-12/h2-5,8,11,15H,6-7,9-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine?
2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine has a molecular weight of 319.79 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56867372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).