[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine

C11H18N4 — CID 107542226

IUPAC[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCCC1CCN(c2nccc(CN)n2)C1
InChIInChI=1S/C11H18N4/c1-2-9-4-6-15(8-9)11-13-5-3-10(7-12)14-11/h3,5,9H,2,4,6-8,12H2,1H3
InChIKeyIRMVIPQCFOGQLW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.17
Rot. Bonds3

About [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine

[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine (PubChem CID 107542226) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
PubChem CID107542226
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
SMILESCCC1CCN(c2nccc(CN)n2)C1
InChIInChI=1S/C11H18N4/c1-2-9-4-6-15(8-9)11-13-5-3-10(7-12)14-11/h3,5,9H,2,4,6-8,12H2,1H3
InChIKeyIRMVIPQCFOGQLW-UHFFFAOYSA-N
XLogP1.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine
CID 107542111
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
[2-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541545
[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
[2-(2-methylthiomorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107542244
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
1-(4-propylpyrimidin-2-yl)piperidin-4-amine
CID 117224317
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
4-tert-butyl-2-(4-ethylpiperidin-1-yl)pyrimidine
CID 134171591
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine (CID 107542226) is [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine is CCC1CCN(c2nccc(CN)n2)C1.
What is the InChIKey of [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
The InChIKey is IRMVIPQCFOGQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-9-4-6-15(8-9)11-13-5-3-10(7-12)14-11/h3,5,9H,2,4,6-8,12H2,1H3.
What are the key properties of [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine?
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 107542226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).