1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

C12H20N4 — CID 63267845

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C12H20N4/c1-9-6-12(15-10(2)14-9)16-5-4-11(8-16)7-13-3/h6,11,13H,4-5,7-8H2,1-3H3
InChIKeyLKLBJCFUBPQQQM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.14
Rot. Bonds3

About 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63267845) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63267845
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cc(C)nc(C)n2)C1
InChIInChI=1S/C12H20N4/c1-9-6-12(15-10(2)14-9)16-5-4-11(8-16)7-13-3/h6,11,13H,4-5,7-8H2,1-3H3
InChIKeyLKLBJCFUBPQQQM-UHFFFAOYSA-N
XLogP1.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 113491546
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
N-methyl-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 106660047
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 97162738

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine (CID 63267845) is 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2cc(C)nc(C)n2)C1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is LKLBJCFUBPQQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-6-12(15-10(2)14-9)16-5-4-11(8-16)7-13-3/h6,11,13H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63267845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).