2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine

C14H23N3O2 — CID 65334028

IUPAC2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(C2CCCOC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-8-13(9-15-5-7-18-2)17-14(16-11)12-4-3-6-19-10-12/h8,12,15H,3-7,9-10H2,1-2H3
InChIKeyRZHUDIPKCPKEQN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.42
Rot. Bonds6

About 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 65334028) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID65334028
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1cc(C)nc(C2CCCOC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-8-13(9-15-5-7-18-2)17-14(16-11)12-4-3-6-19-10-12/h8,12,15H,3-7,9-10H2,1-2H3
InChIKeyRZHUDIPKCPKEQN-UHFFFAOYSA-N
XLogP1.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.42
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-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine (CID 65334028) is 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine is COCCNCc1cc(C)nc(C2CCCOC2)n1.
What is the InChIKey of 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is RZHUDIPKCPKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-8-13(9-15-5-7-18-2)17-14(16-11)12-4-3-6-19-10-12/h8,12,15H,3-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 65334028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).