5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine

C14H15BrN2O — CID 115773896

IUPAC5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
SMILESCc1cc(N(Cc2ccco2)C2CC2)ncc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-7-14(16-8-13(10)15)17(11-4-5-11)9-12-3-2-6-18-12/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyHZOHOGMGZZTLGN-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.91
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine

5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine (PubChem CID 115773896) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
PubChem CID115773896
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
SMILESCc1cc(N(Cc2ccco2)C2CC2)ncc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-7-14(16-8-13(10)15)17(11-4-5-11)9-12-3-2-6-18-12/h2-3,6-8,11H,4-5,9H2,1H3
InChIKeyHZOHOGMGZZTLGN-UHFFFAOYSA-N
XLogP3.91
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502
5-bromo-4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80790008
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
CID 66466642
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
CID 81050858
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80789824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine (CID 115773896) is 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine is Cc1cc(N(Cc2ccco2)C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine?
The InChIKey is HZOHOGMGZZTLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-7-14(16-8-13(10)15)17(11-4-5-11)9-12-3-2-6-18-12/h2-3,6-8,11H,4-5,9H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine?
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 115773896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).