[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine

C13H22N4 — CID 114216489

IUPAC[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine
SMILESCCC1CCC(C)N1c1nc(C)ncc1CN
InChIInChI=1S/C13H22N4/c1-4-12-6-5-9(2)17(12)13-11(7-14)8-15-10(3)16-13/h8-9,12H,4-7,14H2,1-3H3
InChIKeyJRFBPQYWANOOAH-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.01
Rot. Bonds3

About [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine

[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine (PubChem CID 114216489) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine
PubChem CID114216489
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine
SMILESCCC1CCC(C)N1c1nc(C)ncc1CN
InChIInChI=1S/C13H22N4/c1-4-12-6-5-9(2)17(12)13-11(7-14)8-15-10(3)16-13/h8-9,12H,4-7,14H2,1-3H3
InChIKeyJRFBPQYWANOOAH-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine (CID 114216489) is [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine is CCC1CCC(C)N1c1nc(C)ncc1CN.
What is the InChIKey of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine?
The InChIKey is JRFBPQYWANOOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-12-6-5-9(2)17(12)13-11(7-14)8-15-10(3)16-13/h8-9,12H,4-7,14H2,1-3H3.
What are the key properties of [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine?
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 114216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).