1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea

C15H15BrN4O — CID 126820729

IUPAC1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESO=C(NCc1cnc(Br)cn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15BrN4O/c16-14-9-17-13(7-18-14)8-19-15(21)20-12-5-4-10-2-1-3-11(10)6-12/h4-7,9H,1-3,8H2,(H2,19,20,21)
InChIKeyAQKFJJZRDNUIMQ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.05
Rot. Bonds3

About 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea

1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea (PubChem CID 126820729) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea.

Molecular Properties

Compound Name1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
PubChem CID126820729
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea
SMILESO=C(NCc1cnc(Br)cn1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H15BrN4O/c16-14-9-17-13(7-18-14)8-19-15(21)20-12-5-4-10-2-1-3-11(10)6-12/h4-7,9H,1-3,8H2,(H2,19,20,21)
InChIKeyAQKFJJZRDNUIMQ-UHFFFAOYSA-N
XLogP3.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-Dimethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4590879
1-Indan-5-yl-3-(4-methyl-pyridin-3-yl)-imidazolidin-2-one
CID 49872456
N-(2-amino-5-(pyrazin-2-yl)phenyl)pyrrolidine-1-carboxamide
CID 71466382
1-(3,4-Dimethylphenyl)-3-pyridin-3-ylurea
CID 6468027
3-[4-Cyano-3-(trifluoromethyl)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 72117407
N~1~-(2,3-dihydro-1H-inden-5-yl)-N~3~-methyl-N~3~-(pyrazin-2-ylmethyl)-beta-alaninamide
CID 118777870
N-[(5-methylpyrazin-2-yl)methyl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 118782884
3-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
CID 119046233
1-(3,4-Dimethylphenyl)-3-[(3-fluoro-2-pyridinyl)methyl]urea
CID 176776957
(indan-5-ylamino)-N-(3-pyridyl)carboxamide
CID 17249763
1-(3-Fluoro-4-methylphenyl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 3665876
1-[3-(1,1-Difluoroethyl)phenyl]-3-[2-(6-methylpyrazin-2-yl)ethyl]urea
CID 126825487

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
The IUPAC name of 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea (CID 126820729) is 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea.
What is the SMILES notation for 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
The canonical SMILES for 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea is O=C(NCc1cnc(Br)cn1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
The InChIKey is AQKFJJZRDNUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-14-9-17-13(7-18-14)8-19-15(21)20-12-5-4-10-2-1-3-11(10)6-12/h4-7,9H,1-3,8H2,(H2,19,20,21).
What are the key properties of 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea?
1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea has a molecular weight of 347.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromopyrazin-2-yl)methyl]-3-(2,3-dihydro-1H-inden-5-yl)urea is sourced from PubChem (CID 126820729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).