5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine

C16H28N4 — CID 80833890

IUPAC5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(C)CC2)c1CC
InChIInChI=1S/C16H28N4/c1-4-9-17-15-14(5-2)16(19-12-18-15)20-10-6-7-13(3)8-11-20/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeySCCLNKNENLALFK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.49
Rot. Bonds5

About 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine

5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 80833890) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
PubChem CID80833890
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC(C)CC2)c1CC
InChIInChI=1S/C16H28N4/c1-4-9-17-15-14(5-2)16(19-12-18-15)20-10-6-7-13(3)8-11-20/h12-13H,4-11H2,1-3H3,(H,17,18,19)
InChIKeySCCLNKNENLALFK-UHFFFAOYSA-N
XLogP3.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796184
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80836987
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80855516
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80831098
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine (CID 80833890) is 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCCC(C)CC2)c1CC.
What is the InChIKey of 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is SCCLNKNENLALFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-9-17-15-14(5-2)16(19-12-18-15)20-10-6-7-13(3)8-11-20/h12-13H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine?
5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80833890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).