5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine

C15H26N4 — CID 80836987

IUPAC5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCCC(CC)CC1
InChIInChI=1S/C15H26N4/c1-4-12-7-6-9-19(10-8-12)15-13(5-2)14(16-3)17-11-18-15/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyFZAPPEKXYDXTJE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.10
Rot. Bonds4

About 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine

5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 80836987) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
PubChem CID80836987
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCCC(CC)CC1
InChIInChI=1S/C15H26N4/c1-4-12-7-6-9-19(10-8-12)15-13(5-2)14(16-3)17-11-18-15/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyFZAPPEKXYDXTJE-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
CID 80833890
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542
ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 107877825
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82753042
5-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 107396356
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802835
N-ethyl-6-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 80795362
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80811776

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine (CID 80836987) is 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1N1CCCC(CC)CC1.
What is the InChIKey of 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is FZAPPEKXYDXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-12-7-6-9-19(10-8-12)15-13(5-2)14(16-3)17-11-18-15/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine?
5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80836987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).