6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine

C13H22N4 — CID 113419496

IUPAC6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCC(CC)C2)n1
InChIInChI=1S/C13H22N4/c1-3-5-12-15-11(14)8-13(16-12)17-7-6-10(4-2)9-17/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyJYXOIICUNGSKJL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.25
Rot. Bonds4

About 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine

6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine (PubChem CID 113419496) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
PubChem CID113419496
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(N2CCC(CC)C2)n1
InChIInChI=1S/C13H22N4/c1-3-5-12-15-11(14)8-13(16-12)17-7-6-10(4-2)9-17/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16)
InChIKeyJYXOIICUNGSKJL-UHFFFAOYSA-N
XLogP2.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidin-4-amine
CID 80949806
[1-(6-amino-2-propylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80945816
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971349
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
2-(methoxymethyl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419522
2-(6-amino-2-propylpyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863604
2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80945393
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124
6-(4-tert-butylpiperazin-1-yl)-2-propylpyrimidin-4-amine
CID 80955008
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684034
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine
CID 80933210

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine (CID 113419496) is 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(N2CCC(CC)C2)n1.
What is the InChIKey of 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
The InChIKey is JYXOIICUNGSKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-5-12-15-11(14)8-13(16-12)17-7-6-10(4-2)9-17/h8,10H,3-7,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine?
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 113419496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).