N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine

C11H20N4O2 — CID 113292899

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(OC)nc(NCCCN(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-15(2)7-5-6-12-11-13-9(16-3)8-10(14-11)17-4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyZIUKKFVWOUYNPL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.86
Rot. Bonds7

About N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 113292899) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID113292899
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(OC)nc(NCCCN(C)C)n1
InChIInChI=1S/C11H20N4O2/c1-15(2)7-5-6-12-11-13-9(16-3)8-10(14-11)17-4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyZIUKKFVWOUYNPL-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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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Related Compounds

N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
N-(4,6-dimethoxypyrimidin-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115355108
4,6-dimethoxy-N-pent-4-ynylpyrimidin-2-amine
CID 106222455
N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355111
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 62862123
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(4-methoxy-6-methylpyrimidin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115626951
N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456372

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 113292899) is N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine is COc1cc(OC)nc(NCCCN(C)C)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ZIUKKFVWOUYNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-15(2)7-5-6-12-11-13-9(16-3)8-10(14-11)17-4/h8H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.86, 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-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 113292899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).