N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine

C13H17BrN4O — CID 133374962

IUPACN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine
SMILESCCOc1cncc(N(C)Cc2cc(Br)cn2C)n1
InChIInChI=1S/C13H17BrN4O/c1-4-19-13-7-15-6-12(16-13)18(3)9-11-5-10(14)8-17(11)2/h5-8H,4,9H2,1-3H3
InChIKeyPPGVSEDHGYMVFM-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.61
Rot. Bonds5

About N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine

N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine (PubChem CID 133374962) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine
PubChem CID133374962
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine
SMILESCCOc1cncc(N(C)Cc2cc(Br)cn2C)n1
InChIInChI=1S/C13H17BrN4O/c1-4-19-13-7-15-6-12(16-13)18(3)9-11-5-10(14)8-17(11)2/h5-8H,4,9H2,1-3H3
InChIKeyPPGVSEDHGYMVFM-UHFFFAOYSA-N
XLogP2.61
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 84593500
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-ethoxy-N-methylethanamine
CID 75518375
3-(4-Propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine
CID 140633528
1-[1-(5-bromo-3-fluoro-2-pyridinyl)imidazol-4-yl]-N-[2-(trimethylsilylmethoxy)ethyl]methanimine
CID 176411864
3-{[1-(5-Bromo-3-fluoropyridin-2-yl)piperidin-4-yl]oxy}-2,5-dimethylpyrazine
CID 163350402
2-{[1-(5-Bromo-3-fluoropyridin-2-yl)pyrrolidin-3-yl]methoxy}pyrazine
CID 168056790
2-({1-[3-Bromo-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methoxy)pyrazine
CID 168056793
2-({1-[5-Bromo-3-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl}methoxy)pyrazine
CID 168056794
2-{[1-(5-Bromo-3-fluoropyridin-2-yl)piperidin-4-yl]oxy}-6-methylpyrazine
CID 171701022
2-({1-[3-Bromo-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}oxy)-6-methylpyrazine
CID 171701075
2-({1-[5-Bromo-3-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}oxy)-6-methylpyrazine
CID 171704297
2,3-Dimethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 9798086

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine?
The IUPAC name of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine (CID 133374962) is N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine?
The canonical SMILES for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine is CCOc1cncc(N(C)Cc2cc(Br)cn2C)n1.
What is the InChIKey of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine?
The InChIKey is PPGVSEDHGYMVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-4-19-13-7-15-6-12(16-13)18(3)9-11-5-10(14)8-17(11)2/h5-8H,4,9H2,1-3H3.
What are the key properties of N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine?
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine has a molecular weight of 325.21 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-6-ethoxy-N-methylpyrazin-2-amine is sourced from PubChem (CID 133374962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).