1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine

C11H20N4O — CID 114553103

IUPAC1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
SMILESCOCCNCC(C)NCc1ncccn1
InChIInChI=1S/C11H20N4O/c1-10(8-12-6-7-16-2)15-9-11-13-4-3-5-14-11/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyPCMWINFHWSHTMY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.19
Rot. Bonds8

About 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine

1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine (PubChem CID 114553103) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
PubChem CID114553103
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
SMILESCOCCNCC(C)NCc1ncccn1
InChIInChI=1S/C11H20N4O/c1-10(8-12-6-7-16-2)15-9-11-13-4-3-5-14-11/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyPCMWINFHWSHTMY-UHFFFAOYSA-N
XLogP0.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098
2-N-[(5-chloro-2-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113407636
2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 104670206
2-(2-methoxyethoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62699364
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 102810428
2-N-[(5-fluoro-3-pyridinyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 113452860
1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
CID 113407643
1-N-(2-methoxyethyl)-2-N-(3-pyridin-3-ylpropyl)propane-1,2-diamine
CID 113407670
1-bromo-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 107859566
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
CID 106190329
5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 63927515

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine (CID 114553103) is 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine is COCCNCC(C)NCc1ncccn1.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
The InChIKey is PCMWINFHWSHTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10(8-12-6-7-16-2)15-9-11-13-4-3-5-14-11/h3-5,10,12,15H,6-9H2,1-2H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 114553103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).