N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine

C11H20N4O2 — CID 43552091

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ncnc(OC)c1CNCCN(C)C
InChIInChI=1S/C11H20N4O2/c1-15(2)6-5-12-7-9-10(16-3)13-8-14-11(9)17-4/h8,12H,5-7H2,1-4H3
InChIKeyLCCCGKUDWONECO-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.14
Rot. Bonds7

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 43552091) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID43552091
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ncnc(OC)c1CNCCN(C)C
InChIInChI=1S/C11H20N4O2/c1-15(2)6-5-12-7-9-10(16-3)13-8-14-11(9)17-4/h8,12H,5-7H2,1-4H3
InChIKeyLCCCGKUDWONECO-UHFFFAOYSA-N
XLogP0.14
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 43552091) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine is COc1ncnc(OC)c1CNCCN(C)C.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LCCCGKUDWONECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-15(2)6-5-12-7-9-10(16-3)13-8-14-11(9)17-4/h8,12H,5-7H2,1-4H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43552091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).