[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine

C12H20N4 — CID 83185118

IUPAC[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCCC2(C)C)ncc1CN
InChIInChI=1S/C12H20N4/c1-9-10(7-13)8-14-11(15-9)16-6-4-5-12(16,2)3/h8H,4-7,13H2,1-3H3
InChIKeyQXKOWGLBSROLAY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds2

About [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine

[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83185118) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83185118
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1nc(N2CCCC2(C)C)ncc1CN
InChIInChI=1S/C12H20N4/c1-9-10(7-13)8-14-11(15-9)16-6-4-5-12(16,2)3/h8H,4-7,13H2,1-3H3
InChIKeyQXKOWGLBSROLAY-UHFFFAOYSA-N
XLogP1.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine (CID 83185118) is [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine is Cc1nc(N2CCCC2(C)C)ncc1CN.
What is the InChIKey of [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is QXKOWGLBSROLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-10(7-13)8-14-11(15-9)16-6-4-5-12(16,2)3/h8H,4-7,13H2,1-3H3.
What are the key properties of [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine?
[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83185118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).