5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

C15H17BrN2S — CID 107081264

IUPAC5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H17BrN2S/c1-11-6-13(7-16)8-17-15(11)18(14-2-3-14)9-12-4-5-19-10-12/h4-6,8,10,14H,2-3,7,9H2,1H3
InChIKeyPMSPVQZBHVTBBW-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.52
Rot. Bonds5

About 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 107081264) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID107081264
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1cc(CBr)cnc1N(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H17BrN2S/c1-11-6-13(7-16)8-17-15(11)18(14-2-3-14)9-12-4-5-19-10-12/h4-6,8,10,14H,2-3,7,9H2,1H3
InChIKeyPMSPVQZBHVTBBW-UHFFFAOYSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107080224
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
[5-methyl-6-[methyl(thiophen-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 80631311
5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80628754
N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 83185445
3-(bromomethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 107081266
5-(bromomethyl)-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 107081997
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 107081264) is 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is Cc1cc(CBr)cnc1N(Cc1ccsc1)C1CC1.
What is the InChIKey of 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is PMSPVQZBHVTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-11-6-13(7-16)8-17-15(11)18(14-2-3-14)9-12-4-5-19-10-12/h4-6,8,10,14H,2-3,7,9H2,1H3.
What are the key properties of 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 337.29 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 107081264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).