5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine

C16H28N4 — CID 80855516

IUPAC5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC2C(C)C)c1CC
InChIInChI=1S/C16H28N4/c1-5-9-17-15-13(6-2)16(19-11-18-15)20-10-7-8-14(20)12(3)4/h11-12,14H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyIYVNCWARQXNNJG-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.49
Rot. Bonds6

About 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine

5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80855516) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80855516
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC2C(C)C)c1CC
InChIInChI=1S/C16H28N4/c1-5-9-17-15-13(6-2)16(19-11-18-15)20-10-7-8-14(20)12(3)4/h11-12,14H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyIYVNCWARQXNNJG-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785472
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80791082
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
2-ethyl-5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80992555
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80798586
5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
CID 80833890
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
N-ethyl-5-nitro-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80856674
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937
5-bromo-4-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80856446

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine (CID 80855516) is 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCCC2C(C)C)c1CC.
What is the InChIKey of 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is IYVNCWARQXNNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-9-17-15-13(6-2)16(19-11-18-15)20-10-7-8-14(20)12(3)4/h11-12,14H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine?
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80855516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).