2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine

C13H24N4 — CID 113291422

IUPAC2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCNc1cc(CC(C)C)nc(CCN(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)8-11-9-13(14-3)16-12(15-11)6-7-17(4)5/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyKJWDJJCYACEZHQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine

2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 113291422) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID113291422
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCNc1cc(CC(C)C)nc(CCN(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)8-11-9-13(14-3)16-12(15-11)6-7-17(4)5/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyKJWDJJCYACEZHQ-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 113291422) is 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine is CNc1cc(CC(C)C)nc(CCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is KJWDJJCYACEZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)8-11-9-13(14-3)16-12(15-11)6-7-17(4)5/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine?
2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-N-methyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 113291422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).