[5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine

C14H18N6O2 — CID 139358493

IUPAC[5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine
SMILES[H]/N=C/c1ncc(-c2nccc(N3CCOC(COC)C3)n2)[nH]1
InChIInChI=1S/C14H18N6O2/c1-21-9-10-8-20(4-5-22-10)13-2-3-16-14(19-13)11-7-17-12(6-15)18-11/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,17,18)/b15-6+
InChIKeyFKMXBFUXAQUCRL-GIDUJCDVSA-N
MW302.34 g/mol
LogP0.72
Rot. Bonds5

About [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine

[5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine (PubChem CID 139358493) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine.

Molecular Properties

Compound Name[5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine
PubChem CID139358493
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine
SMILES[H]/N=C/c1ncc(-c2nccc(N3CCOC(COC)C3)n2)[nH]1
InChIInChI=1S/C14H18N6O2/c1-21-9-10-8-20(4-5-22-10)13-2-3-16-14(19-13)11-7-17-12(6-15)18-11/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,17,18)/b15-6+
InChIKeyFKMXBFUXAQUCRL-GIDUJCDVSA-N
XLogP0.72
TPSA100.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine?
The IUPAC name of [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine (CID 139358493) is [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine.
What is the SMILES notation for [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine?
The canonical SMILES for [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine is [H]/N=C/c1ncc(-c2nccc(N3CCOC(COC)C3)n2)[nH]1.
What is the InChIKey of [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine?
The InChIKey is FKMXBFUXAQUCRL-GIDUJCDVSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-21-9-10-8-20(4-5-22-10)13-2-3-16-14(19-13)11-7-17-12(6-15)18-11/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,17,18)/b15-6+.
What are the key properties of [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine?
[5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine has a molecular weight of 302.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[2-(methoxymethyl)morpholin-4-yl]pyrimidin-2-yl]-1H-imidazol-2-yl]methanimine is sourced from PubChem (CID 139358493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).