2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine

C16H27N5 — CID 80985667

IUPAC2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CCC(N3CCCCC3)C2)n1
InChIInChI=1S/C16H27N5/c1-3-14-18-15(17)12(2)16(19-14)21-10-7-13(11-21)20-8-5-4-6-9-20/h13H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyMCCGIQJMKRUQOW-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.99
Rot. Bonds3

About 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine

2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80985667) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80985667
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CCC(N3CCCCC3)C2)n1
InChIInChI=1S/C16H27N5/c1-3-14-18-15(17)12(2)16(19-14)21-10-7-13(11-21)20-8-5-4-6-9-20/h13H,3-11H2,1-2H3,(H2,17,18,19)
InChIKeyMCCGIQJMKRUQOW-UHFFFAOYSA-N
XLogP1.99
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80935279
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103198504
6-(4-ethoxypiperidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80987233
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108410
2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541811
6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80992034
N-[[1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737052
[5,6-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazin-4-yl]methanamine
CID 63171746
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
5-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 66280868
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80986918
5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80983578

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80985667) is 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is CCc1nc(N)c(C)c(N2CCC(N3CCCCC3)C2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is MCCGIQJMKRUQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-14-18-15(17)12(2)16(19-14)21-10-7-13(11-21)20-8-5-4-6-9-20/h13H,3-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 289.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80985667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).