2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine

C14H23N5 — CID 80935279

IUPAC2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H23N5/c1-2-13-16-12(15)9-14(17-13)19-8-5-11(10-19)18-6-3-4-7-18/h9,11H,2-8,10H2,1H3,(H2,15,16,17)
InChIKeyOQRVBKFSFJVUKI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.30
Rot. Bonds3

About 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine

2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80935279) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80935279
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H23N5/c1-2-13-16-12(15)9-14(17-13)19-8-5-11(10-19)18-6-3-4-7-18/h9,11H,2-8,10H2,1H3,(H2,15,16,17)
InChIKeyOQRVBKFSFJVUKI-UHFFFAOYSA-N
XLogP1.30
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-cyclopentylpiperazin-1-yl)-2-ethylpyrimidin-4-amine
CID 80934683
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine
CID 80933210
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
2-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrimidin-4-amine
CID 114238687
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
CID 115563079
2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80985667
2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80934998
1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109427
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
[4-(6-amino-2-ethylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 81218623
5-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-4-amine
CID 83265929

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80935279) is 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is CCc1nc(N)cc(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is OQRVBKFSFJVUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-13-16-12(15)9-14(17-13)19-8-5-11(10-19)18-6-3-4-7-18/h9,11H,2-8,10H2,1H3,(H2,15,16,17).
What are the key properties of 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80935279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).