3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine

C14H14ClN3O — CID 114263213

IUPAC3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(Nc2ccc3c(c2)COC3)nc1C
InChIInChI=1S/C14H14ClN3O/c1-8-9(2)17-14(13(15)16-8)18-12-4-3-10-6-19-7-11(10)5-12/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyBFYVMCVOUSJPQT-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.52
Rot. Bonds2

About 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine

3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine (PubChem CID 114263213) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine
PubChem CID114263213
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(Cl)c(Nc2ccc3c(c2)COC3)nc1C
InChIInChI=1S/C14H14ClN3O/c1-8-9(2)17-14(13(15)16-8)18-12-4-3-10-6-19-7-11(10)5-12/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyBFYVMCVOUSJPQT-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
CID 114262554
N-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dihydro-2-benzofuran-5-amine
CID 144987166
5-bromo-N-(1,3-dihydro-2-benzofuran-5-yl)pyrimidin-4-amine
CID 100669403
4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 114262820
4-chloro-5-(1,3-dihydro-2-benzofuran-5-ylamino)-2-methylpyridazin-3-one
CID 100669417
N-(1,3-dihydro-2-benzofuran-5-yl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 114263140
N-(1,3-dihydro-2-benzofuran-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 127714711
N-pentan-3-yl-1,3-dihydro-2-benzofuran-5-amine
CID 115922539
3,5,6-trichloro-N-(2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
CID 102750004
2,5-dichloro-N-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrimidin-4-amine
CID 170568300
[3-[[3-(1,3-dihydro-2-benzofuran-5-ylamino)quinoxalin-2-yl]amino]sulfanylphenyl]-hydroxyazanium
CID 143442958
N-(1,3-dihydro-2-benzofuran-5-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine
CID 58669912

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine (CID 114263213) is 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine is Cc1nc(Cl)c(Nc2ccc3c(c2)COC3)nc1C.
What is the InChIKey of 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine?
The InChIKey is BFYVMCVOUSJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-9(2)17-14(13(15)16-8)18-12-4-3-10-6-19-7-11(10)5-12/h3-5H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine?
3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dihydro-2-benzofuran-5-yl)-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114263213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).