2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline

C17H22N4O3 — CID 139791749

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline
SMILESCOc1cc(OC)nc(C(c2ccccc2N)N2CCOCC2)n1
InChIInChI=1S/C17H22N4O3/c1-22-14-11-15(23-2)20-17(19-14)16(21-7-9-24-10-8-21)12-5-3-4-6-13(12)18/h3-6,11,16H,7-10,18H2,1-2H3
InChIKeyVIEKDUNEOHDBDM-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.50
Rot. Bonds5

About 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline

2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline (PubChem CID 139791749) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline
PubChem CID139791749
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline
SMILESCOc1cc(OC)nc(C(c2ccccc2N)N2CCOCC2)n1
InChIInChI=1S/C17H22N4O3/c1-22-14-11-15(23-2)20-17(19-14)16(21-7-9-24-10-8-21)12-5-3-4-6-13(12)18/h3-6,11,16H,7-10,18H2,1-2H3
InChIKeyVIEKDUNEOHDBDM-UHFFFAOYSA-N
XLogP1.50
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline (CID 139791749) is 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline is COc1cc(OC)nc(C(c2ccccc2N)N2CCOCC2)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline?
The InChIKey is VIEKDUNEOHDBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-22-14-11-15(23-2)20-17(19-14)16(21-7-9-24-10-8-21)12-5-3-4-6-13(12)18/h3-6,11,16H,7-10,18H2,1-2H3.
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline?
2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline has a molecular weight of 330.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)-morpholin-4-ylmethyl]aniline is sourced from PubChem (CID 139791749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).