3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine

C11H20N4O2 — CID 114154931

IUPAC3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
SMILESCCCOc1cc(NC(CN)COC)ncn1
InChIInChI=1S/C11H20N4O2/c1-3-4-17-11-5-10(13-8-14-11)15-9(6-12)7-16-2/h5,8-9H,3-4,6-7,12H2,1-2H3,(H,13,14,15)
InChIKeyZMVJSHAQSLWWJE-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.65
Rot. Bonds8

About 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine

3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine (PubChem CID 114154931) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
PubChem CID114154931
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine
SMILESCCCOc1cc(NC(CN)COC)ncn1
InChIInChI=1S/C11H20N4O2/c1-3-4-17-11-5-10(13-8-14-11)15-9(6-12)7-16-2/h5,8-9H,3-4,6-7,12H2,1-2H3,(H,13,14,15)
InChIKeyZMVJSHAQSLWWJE-UHFFFAOYSA-N
XLogP0.65
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
4-methoxy-3-[(6-methoxypyrimidin-4-yl)amino]butan-1-ol
CID 106162039
3-methoxy-2-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157111
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
6-methoxy-N-pentan-3-ylpyrimidin-4-amine
CID 66325775
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
1-methoxy-3-(6-propoxypyrimidin-4-yl)-N-propylpropan-2-amine
CID 66334220
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
3-methoxy-2-N-(6-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181643
6-propoxy-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66330165

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine (CID 114154931) is 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine is CCCOc1cc(NC(CN)COC)ncn1.
What is the InChIKey of 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is ZMVJSHAQSLWWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-4-17-11-5-10(13-8-14-11)15-9(6-12)7-16-2/h5,8-9H,3-4,6-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine?
3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(6-propoxypyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 114154931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).