2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine

C15H21N5O — CID 84593500

IUPAC2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine
SMILESCOc1cncc(N2CCN(Cc3cccn3C)CC2)n1
InChIInChI=1S/C15H21N5O/c1-18-5-3-4-13(18)12-19-6-8-20(9-7-19)14-10-16-11-15(17-14)21-2/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyFWVUYCYMDZKKHS-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.15
Rot. Bonds4

About 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine

2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 84593500) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID84593500
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine
SMILESCOc1cncc(N2CCN(Cc3cccn3C)CC2)n1
InChIInChI=1S/C15H21N5O/c1-18-5-3-4-13(18)12-19-6-8-20(9-7-19)14-10-16-11-15(17-14)21-2/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyFWVUYCYMDZKKHS-UHFFFAOYSA-N
XLogP1.15
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-methyl-N-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470719
Methyl 4-morpholino-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1470839
5-methoxy-2-(2-pyridinyl)-4-(1-pyrrolidinyl)Pyrimidine
CID 1470848
(3-Ethoxy-pyrazin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11458873
5-Methoxy-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
CID 51040288
5-methoxy-N,N-dimethyl-2-(pyridin-2-yl)pyrimidin-4-amine
CID 1474141
1-(5-Methoxy-2-pyridin-2-ylpyrimidin-4-yl)azepane
CID 70688839
N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 70690928
4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine
CID 70690929
1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-3-methoxypyrrolo[1,2-a]pyrazine
CID 168288513
4-[5-(2,5-Dimethylpyrrol-1-yl)pyridin-2-yl]morpholine
CID 2941060
1-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]pyrazine
CID 44358178

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine (CID 84593500) is 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine is COc1cncc(N2CCN(Cc3cccn3C)CC2)n1.
What is the InChIKey of 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is FWVUYCYMDZKKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-18-5-3-4-13(18)12-19-6-8-20(9-7-19)14-10-16-11-15(17-14)21-2/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine?
2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 287.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 84593500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).