1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

C13H22N4 — CID 83189014

IUPAC1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC(C)(C)C2)nc1C
InChIInChI=1S/C13H22N4/c1-10-11(7-14-4)8-15-12(16-10)17-6-5-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3
InChIKeyINZCWYITYXHTBH-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine

1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83189014) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83189014
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCC(C)(C)C2)nc1C
InChIInChI=1S/C13H22N4/c1-10-11(7-14-4)8-15-12(16-10)17-6-5-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3
InChIKeyINZCWYITYXHTBH-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83189014) is 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(N2CCC(C)(C)C2)nc1C.
What is the InChIKey of 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is INZCWYITYXHTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-11(7-14-4)8-15-12(16-10)17-6-5-13(2,3)9-17/h8,14H,5-7,9H2,1-4H3.
What are the key properties of 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83189014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).