[5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine

C24H38N6O — CID 69437985

IUPAC[5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine
SMILESCCc1nc(OC(CC)CC)c(CN)nc1-c1ccc(C(C)C)nc1N1CCNCC1
InChIInChI=1S/C24H38N6O/c1-6-17(7-2)31-24-21(15-25)27-22(19(8-3)29-24)18-9-10-20(16(4)5)28-23(18)30-13-11-26-12-14-30/h9-10,16-17,26H,6-8,11-15,25H2,1-5H3
InChIKeySKPBQJKKKFEQSA-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.66
Rot. Bonds9

About [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine

[5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine (PubChem CID 69437985) has the molecular formula C24H38N6O and a molecular weight of 426.61 g/mol. Its IUPAC name is [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine
PubChem CID69437985
Molecular FormulaC24H38N6O
Molecular Weight426.61 g/mol
Exact Mass426.31
IUPAC Name[5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine
SMILESCCc1nc(OC(CC)CC)c(CN)nc1-c1ccc(C(C)C)nc1N1CCNCC1
InChIInChI=1S/C24H38N6O/c1-6-17(7-2)31-24-21(15-25)27-22(19(8-3)29-24)18-9-10-20(16(4)5)28-23(18)30-13-11-26-12-14-30/h9-10,16-17,26H,6-8,11-15,25H2,1-5H3
InChIKeySKPBQJKKKFEQSA-UHFFFAOYSA-N
XLogP3.66
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-[6-(aminomethyl)-3-ethyl-5-pentan-3-yloxypyrazin-2-yl]-N-ethyl-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69443702
2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine
CID 10361116
4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol
CID 135593018
[3-(1-butan-2-yl-6-ethyl-3-methylpyrazolo[3,4-b]pyrazin-5-yl)-6-propan-2-yl-2-pyridinyl]methanamine
CID 69441750
2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine
CID 22248963
2-[2-chloro-4-(trifluoromethyl)phenyl]-3,6-diethyl-5-hexan-3-yloxypyrazine
CID 22248903
5-[1-(2-methoxyphenoxy)propan-2-yl]-2-[5-[1-(2-methoxyphenoxy)propan-2-yl]-3-piperazin-1-ylpyrazin-2-yl]oxy-3-piperazin-1-ylpyrazine
CID 151525226
(4,5-dichloro-6-piperazin-1-ylpyrimidin-2-yl)methanamine
CID 87183221
1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane
CID 63319282
1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
CID 171305510
5-methyl-6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-amine
CID 80983579
1-(2,6-diethyl-5-methylpyrimidin-4-yl)-1,4-diazepane
CID 94075421

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine?
The IUPAC name of [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine (CID 69437985) is [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine is CCc1nc(OC(CC)CC)c(CN)nc1-c1ccc(C(C)C)nc1N1CCNCC1.
What is the InChIKey of [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine?
The InChIKey is SKPBQJKKKFEQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O/c1-6-17(7-2)31-24-21(15-25)27-22(19(8-3)29-24)18-9-10-20(16(4)5)28-23(18)30-13-11-26-12-14-30/h9-10,16-17,26H,6-8,11-15,25H2,1-5H3.
What are the key properties of [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine?
[5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine has a molecular weight of 426.61 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-3-pentan-3-yloxy-6-(2-piperazin-1-yl-6-propan-2-yl-3-pyridinyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 69437985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).