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

C13H22N4 — CID 83185655

IUPAC1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCC2(C)C)nc1C
InChIInChI=1S/C13H22N4/c1-10-11(8-14-4)9-15-12(16-10)17-7-5-6-13(17,2)3/h9,14H,5-8H2,1-4H3
InChIKeyOKAQDROAHRJYGT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.88
Rot. Bonds3

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

1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (PubChem CID 83185655) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
PubChem CID83185655
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(N2CCCC2(C)C)nc1C
InChIInChI=1S/C13H22N4/c1-10-11(8-14-4)9-15-12(16-10)17-7-5-6-13(17,2)3/h9,14H,5-8H2,1-4H3
InChIKeyOKAQDROAHRJYGT-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 83185212
[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83185118
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189014
N-methyl-1-[4-methyl-2-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-5-yl]methanamine
CID 83185204
1-[4-(2,2-dimethylpyrrolidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81247636
1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186326
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
1-[2-(2-ethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186290
1-[2-(1,3-dihydroisoindol-2-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185473
N-methyl-1-[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-5-yl]methanamine
CID 83185977
N-methyl-1-[4-methyl-2-(3-phenylpyrrolidin-1-yl)pyrimidin-5-yl]methanamine
CID 83178916
N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine
CID 83189032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine (CID 83185655) is 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(N2CCCC2(C)C)nc1C.
What is the InChIKey of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is OKAQDROAHRJYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-11(8-14-4)9-15-12(16-10)17-7-5-6-13(17,2)3/h9,14H,5-8H2,1-4H3.
What are the key properties of 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine?
1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 83185655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).