2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

C16H27N3O2 — CID 65334731

IUPAC2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(C2CCOCC2)nc1C
InChIInChI=1S/C16H27N3O2/c1-12-15(4-7-17-8-11-20-3)13(2)19-16(18-12)14-5-9-21-10-6-14/h14,17H,4-11H2,1-3H3
InChIKeyQLDVQMSXJZGQDP-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.77
Rot. Bonds7

About 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 65334731) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID65334731
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(C2CCOCC2)nc1C
InChIInChI=1S/C16H27N3O2/c1-12-15(4-7-17-8-11-20-3)13(2)19-16(18-12)14-5-9-21-10-6-14/h14,17H,4-11H2,1-3H3
InChIKeyQLDVQMSXJZGQDP-UHFFFAOYSA-N
XLogP1.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (CID 65334731) is 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1c(C)nc(C2CCOCC2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is QLDVQMSXJZGQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12-15(4-7-17-8-11-20-3)13(2)19-16(18-12)14-5-9-21-10-6-14/h14,17H,4-11H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 65334731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).