[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C13H20ClN5O2 — CID 149158648

IUPAC[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCNc1nc(OC)c(C(=O)N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C13H20ClN5O2/c1-4-15-11-10(14)16-9(12(17-11)21-3)13(20)19-7-5-18(2)6-8-19/h4-8H2,1-3H3,(H,15,17)
InChIKeyAIHDGBWVIWKOFU-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.96
Rot. Bonds4

About [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 149158648) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID149158648
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCNc1nc(OC)c(C(=O)N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C13H20ClN5O2/c1-4-15-11-10(14)16-9(12(17-11)21-3)13(20)19-7-5-18(2)6-8-19/h4-8H2,1-3H3,(H,15,17)
InChIKeyAIHDGBWVIWKOFU-UHFFFAOYSA-N
XLogP0.96
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(2-cyclohexylpiperazin-1-yl)methanone
CID 149158646
6-chloro-5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-N-methylpyrazine-2-carboxamide
CID 21418985
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122351707
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 105383957
(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 65359172
(4-methylpiperazin-1-yl)-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318879
3-chloro-6-(ethylamino)-N-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 83024967
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835

Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 149158648) is [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CCNc1nc(OC)c(C(=O)N2CCN(C)CC2)nc1Cl.
What is the InChIKey of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AIHDGBWVIWKOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c1-4-15-11-10(14)16-9(12(17-11)21-3)13(20)19-7-5-18(2)6-8-19/h4-8H2,1-3H3,(H,15,17).
What are the key properties of [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 313.79 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(ethylamino)-3-methoxypyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 149158648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).