2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine

C13H24N4 — CID 80657236

IUPAC2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCC(C)N(CC)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C13H24N4/c1-6-11(4)17(7-2)9-13-15-10(3)8-12(14-5)16-13/h8,11H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyOLWSICPCUVTCQZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.45
Rot. Bonds6

About 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine

2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80657236) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80657236
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCC(C)N(CC)Cc1nc(C)cc(NC)n1
InChIInChI=1S/C13H24N4/c1-6-11(4)17(7-2)9-13-15-10(3)8-12(14-5)16-13/h8,11H,6-7,9H2,1-5H3,(H,14,15,16)
InChIKeyOLWSICPCUVTCQZ-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine (CID 80657236) is 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine is CCC(C)N(CC)Cc1nc(C)cc(NC)n1.
What is the InChIKey of 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is OLWSICPCUVTCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-11(4)17(7-2)9-13-15-10(3)8-12(14-5)16-13/h8,11H,6-7,9H2,1-5H3,(H,14,15,16).
What are the key properties of 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine?
2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80657236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).