N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine

C12H22N4 — CID 62593196

IUPACN'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1cc(C)nc(C)n1
InChIInChI=1S/C12H22N4/c1-5-6-13-7-8-16(4)12-9-10(2)14-11(3)15-12/h9,13H,5-8H2,1-4H3
InChIKeySYRNEBIPPAVMEH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.53
Rot. Bonds6

About N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine

N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 62593196) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID62593196
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1cc(C)nc(C)n1
InChIInChI=1S/C12H22N4/c1-5-6-13-7-8-16(4)12-9-10(2)14-11(3)15-12/h9,13H,5-8H2,1-4H3
InChIKeySYRNEBIPPAVMEH-UHFFFAOYSA-N
XLogP1.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine (CID 62593196) is N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)c1cc(C)nc(C)n1.
What is the InChIKey of N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is SYRNEBIPPAVMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-6-13-7-8-16(4)12-9-10(2)14-11(3)15-12/h9,13H,5-8H2,1-4H3.
What are the key properties of N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 62593196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).